data_1pqn_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 1pqn _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.02 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.02 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.02 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 16.4 m80 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.02 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.02 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.844 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.091 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.02 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.02 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.245 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.02 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.3 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.02 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.02 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.02 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.02 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.02 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.02 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.427 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.02 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.02 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.154 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.934 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE1' HG11 ' A' ' 61' ' ' VAL . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.02 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.02 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.02 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.02 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.02 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.925 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.02 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.02 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.862 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.02 110.687 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.02 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.02 111.285 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.02 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.02 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.02 111.165 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.02 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.02 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.02 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.02 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.476 ' CB ' ' CZ ' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.02 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.02 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.414 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.02 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.02 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.874 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.412 HG11 ' CE1' ' A' ' 30' ' ' PHE . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.02 111.101 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.827 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.115 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.02 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HG3' ' CD2' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.02 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.02 111.096 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.02 112.42 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.627 0.251 . . . . 0.02 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.02 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.02 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.131 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CD2' ' CD1' ' A' ' 18' ' ' ILE . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.02 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.02 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 90' ' ' ILE . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.128 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.006 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.406 HD23 ' CZ ' ' A' ' 83' ' ' PHE . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.02 112.356 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.833 0.349 . . . . 0.02 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.02 111.127 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.02 110.735 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.02 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.02 111.155 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.132 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.02 110.66 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.02 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.02 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.129 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.02 110.923 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.02 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.02 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.02 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.481 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.02 111.33 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.476 ' CZ ' ' CB ' ' A' ' 56' ' ' ALA . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.02 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.02 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.02 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.93 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.843 0.354 . . . . 0.02 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.02 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.993 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.956 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.02 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.02 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.02 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.02 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.02 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.02 111.098 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.559 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.02 110.984 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.079 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.02 112.519 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 64' ' ' THR . 29.3 m170 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.02 110.943 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.02 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.02 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.02 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.02 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.976 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.711 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.02 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.02 110.679 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.661 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.02 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.02 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.067 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.407 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.02 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.02 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.02 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.02 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.861 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.02 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.813 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.123 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.458 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 32' ' ' HIS . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.02 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.02 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.02 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.02 112.276 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.661 0.267 . . . . 0.02 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.02 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.089 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.02 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.02 110.9 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 90' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.02 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.02 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.02 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.02 110.759 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.02 112.483 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.02 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.132 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.836 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.02 111.369 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.02 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.02 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.02 110.728 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.02 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.02 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.02 111.226 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.02 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.02 110.569 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.02 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.445 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.434 ' CD1' HG23 ' A' ' 116' ' ' ILE . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.02 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.02 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.02 111.115 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.958 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.867 0.365 . . . . 0.02 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.409 ' O ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.02 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CD2' HD11 ' A' ' 60' ' ' LEU . 54.3 m80 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.02 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.896 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.02 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.02 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.02 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.02 110.937 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.423 HG22 HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.02 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.02 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.02 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.02 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.158 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.19 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.02 110.874 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.912 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.02 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.02 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.02 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.969 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.937 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.02 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.02 111.028 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.02 111.36 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.02 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.02 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.02 111.304 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.02 111.139 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.02 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.71 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.02 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.02 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.02 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.02 110.973 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.02 110.943 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.02 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 7' ' ' HIS . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.02 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.02 111.111 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.271 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.02 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.141 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.02 112.35 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.638 0.256 . . . . 0.02 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.02 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.02 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.02 110.992 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.02 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.452 ' CE2' ' CG1' ' A' ' 119' ' ' VAL . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.02 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE2' ' CG ' ' A' ' 89' ' ' HIS . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.02 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.02 110.89 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.02 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.491 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.02 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.02 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.425 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.02 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.919 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.82 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.02 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.821 0.343 . . . . 0.02 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.091 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.841 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.02 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.02 111.302 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.02 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.02 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.02 110.824 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.02 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.02 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.02 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.02 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.02 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.486 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.02 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.452 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.02 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.02 110.822 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.02 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.02 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.02 111.098 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.02 110.971 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.02 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.02 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.765 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.02 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.02 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.02 110.978 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.02 110.882 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.434 HD12 HG23 ' A' ' 18' ' ' ILE . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.02 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.02 111.035 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.02 111.052 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 ' HB ' ' CG1' ' A' ' 58' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.02 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.017 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.02 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.02 112.519 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.02 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.02 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.02 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.02 110.925 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.02 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.02 111.016 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.02 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.02 111.262 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.02 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.02 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 44' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.02 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.02 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.02 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.02 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.02 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB1' ' CE2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.02 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.202 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.02 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.02 111.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.02 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.117 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo . . . . . 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.02 112.321 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.02 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.02 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.02 110.832 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.699 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.02 111.265 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.02 110.594 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.02 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.02 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.432 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.02 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.02 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.02 110.908 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.02 111.101 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.02 110.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.02 110.95 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.02 112.524 -179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 0.02 111.24 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.02 111.153 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.02 110.669 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.02 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.02 111.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.02 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.02 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.02 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.02 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.02 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.549 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.02 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.02 111.143 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 120' ' ' TYR . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.02 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.02 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.02 111.394 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.422 ' CD1' HG23 ' A' ' 116' ' ' ILE . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.02 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.02 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.02 111.075 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.763 0.316 . . . . 0.02 110.919 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.02 111.135 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.02 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.774 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.02 110.942 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.02 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.02 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.034 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.02 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.02 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.02 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.945 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.02 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.02 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.02 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.02 110.825 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.02 111.447 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.02 111.067 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.02 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.02 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.02 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.02 110.972 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.02 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.02 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.978 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.02 110.932 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.02 110.825 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.02 111.161 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.02 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.02 111.3 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.02 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.02 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.02 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.02 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.02 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.02 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.02 111.025 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.434 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.02 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.02 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.935 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.02 111.097 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.02 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.02 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.02 110.987 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.02 112.235 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.02 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.02 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.817 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.022 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.181 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.02 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.02 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.02 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.02 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.02 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.02 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.02 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.474 HG21 HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.902 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.508 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.833 0.349 . . . . 0.02 111.283 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.193 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.854 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.299 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.02 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.02 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.02 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.418 ' O ' HG22 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.02 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.02 110.929 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.02 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.02 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.02 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.02 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.02 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.02 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.02 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.02 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.02 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.991 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.85 0.357 . . . . 0.02 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.02 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.02 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.02 110.787 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.02 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.02 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.02 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.02 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.032 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.02 111.074 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.02 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' CZ ' ' CD2' ' A' ' 120' ' ' TYR . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.02 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.02 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.02 111.022 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.437 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.407 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.02 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.79 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.02 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.02 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.02 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.72 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.02 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.02 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.814 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.645 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.02 110.964 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.626 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.02 110.801 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 48' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.02 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.02 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.419 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.02 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.02 111.182 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.02 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.02 111.789 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.02 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.02 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.02 110.799 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.168 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.02 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.02 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.02 110.98 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.02 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.02 112.279 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.612 0.244 . . . . 0.02 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.02 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.02 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.02 111.158 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.02 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.02 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.02 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.02 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.02 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.133 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.971 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.978 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.02 112.515 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.02 111.326 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 102' ' ' ILE . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.02 111.028 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.02 111.325 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.02 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.02 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.02 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.02 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.02 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.02 110.684 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.945 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.02 110.626 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.02 111.16 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.02 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 83' ' ' PHE . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.02 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.02 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.02 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.02 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.02 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.02 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.02 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.229 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.02 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 2.1 t60 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.02 110.807 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.02 111.056 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.02 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.068 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.02 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.982 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.02 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.02 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.02 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.02 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.02 111.401 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.02 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.923 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.02 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.02 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.02 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.02 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.02 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.02 110.815 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.847 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.02 111.103 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.02 110.824 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.02 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.02 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.02 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.02 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.334 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.02 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.02 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.405 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.02 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 120' ' ' TYR . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.02 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.02 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.02 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.02 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.02 110.547 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.02 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.482 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.02 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.482 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo . . . . . 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.02 112.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.613 0.244 . . . . 0.02 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.02 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.02 110.574 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.02 111.04 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.248 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 92' ' ' ILE . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.02 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' A' ' 28' ' ' ILE . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.02 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.02 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' PHE . 9.9 m-80 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.912 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.02 111.029 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.02 112.452 179.931 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.845 0.355 . . . . 0.02 111.233 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.11 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.02 111.234 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.02 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.02 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.02 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.02 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.02 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.02 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.02 111.359 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.02 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.02 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.02 110.687 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.447 ' CG2' ' CD2' ' A' ' 120' ' ' TYR . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.02 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.02 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.02 111.434 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.02 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.02 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.02 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.02 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.006 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.02 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.24 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.02 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.02 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.02 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.02 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.02 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.944 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.02 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.02 111.272 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.109 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.02 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.463 ' NH1' ' CD1' ' A' ' 120' ' ' TYR . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.02 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.02 110.907 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.02 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.962 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.02 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.02 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.02 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.02 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.02 110.98 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.02 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.964 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.02 111.364 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.02 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.02 110.916 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.02 111.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.02 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.439 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.02 111.086 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.02 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.02 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.02 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.02 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.02 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 HG23 ' CE2' ' A' ' 59' ' ' TYR . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.02 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.02 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.02 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.873 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.02 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.904 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.02 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.02 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo . . . . . 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.02 112.831 -179.772 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.657 0.265 . . . . 0.02 110.84 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.02 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.02 110.869 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.729 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.02 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.965 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.02 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 18' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.02 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.02 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.02 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.02 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.072 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.02 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.02 111.075 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.02 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.02 112.424 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.778 0.323 . . . . 0.02 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.133 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.02 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.02 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.02 111.447 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.02 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.02 112.222 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.415 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.02 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.02 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.02 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.02 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.02 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.02 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.434 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.418 HG12 ' CE1' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.02 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.02 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.02 111.101 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.965 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.808 0.337 . . . . 0.02 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.02 111.18 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.02 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.883 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.411 HD23 ' CE2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.935 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.02 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.02 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.02 111.071 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.096 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.973 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.02 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.02 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.02 111.744 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.02 110.377 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 58' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.02 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.02 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.02 111.042 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.02 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.02 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.02 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.02 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.669 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.02 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.02 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.826 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.74 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.02 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.02 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.02 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 48' ' ' ILE . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.02 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.02 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.02 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.02 111.258 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.02 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.02 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.434 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.02 111.339 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.02 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.02 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.02 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.02 111.155 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.469 HG21 HD13 ' A' ' 58' ' ' ILE . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.02 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.457 ' CE2' ' CG2' ' A' ' 28' ' ' ILE . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.02 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.406 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.02 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.02 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.02 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.94 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.02 110.511 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.02 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.02 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo . . . . . 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.02 112.473 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.718 0.294 . . . . 0.02 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.02 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.185 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.031 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CD2' HG12 ' A' ' 119' ' ' VAL . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.02 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.944 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.02 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.02 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.011 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.02 110.989 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.041 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.02 110.825 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.02 112.498 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.02 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.02 111.021 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.139 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.02 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.02 111.189 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.02 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.02 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.02 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.923 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.135 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.02 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.02 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.491 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.424 HG12 ' CD2' ' A' ' 83' ' ' PHE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.924 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.02 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.02 111.06 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.02 110.888 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.02 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.02 111.2 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.02 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.905 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.945 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.02 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.02 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.879 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.02 111.029 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.02 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.085 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.053 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.02 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.02 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.02 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.02 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.02 111.264 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.855 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.163 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.02 112.485 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.02 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.02 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.02 110.786 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.02 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.02 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.691 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.849 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.02 111.498 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.02 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.02 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.406 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.02 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.02 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.02 111.197 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.02 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.02 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.02 111.373 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.02 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' CB ' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.02 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.404 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.02 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.073 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.02 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.02 110.97 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.02 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.02 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.02 111.253 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.02 112.259 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.589 0.233 . . . . 0.02 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.02 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.02 111.362 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.75 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.01 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.751 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.02 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.02 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.997 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.02 111.007 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.047 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.02 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.02 111.008 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.02 112.506 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 0.02 111.275 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.02 111.127 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.87 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.05 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.02 111.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.02 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.02 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.02 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.02 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.02 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.02 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 115' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.025 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.02 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.02 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.02 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.452 ' CE2' ' CG2' ' A' ' 116' ' ' ILE . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.02 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.02 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.02 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.41 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.02 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.02 110.883 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.02 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 7' ' ' HIS . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.02 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.407 ' CE1' HD11 ' A' ' 5' ' ' LEU . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.02 110.949 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.729 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.933 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.02 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.02 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.832 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.025 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.02 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.02 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.976 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.02 111.006 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.02 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.02 111.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.02 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.02 111.342 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.02 111.498 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.02 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.02 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.02 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.02 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.02 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.02 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.02 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.778 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.02 110.95 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.095 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.086 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.09 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.02 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.02 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.02 111.003 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.02 111.172 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.02 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.02 111.151 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.02 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.02 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.02 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 59' ' ' TYR . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.02 111.109 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.472 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo . . . . . 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.02 112.384 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.68 0.276 . . . . 0.02 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.02 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.02 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.132 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.442 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.02 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 89' ' ' HIS . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.02 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.02 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.02 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.939 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.02 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 15.3 m170 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.04 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.02 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.419 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.02 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.927 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.02 112.49 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.809 0.338 . . . . 0.02 111.264 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.19 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.02 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.02 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.02 110.71 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.02 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.02 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.02 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.02 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.753 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.02 110.591 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.02 111.143 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.02 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.02 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.02 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.02 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.02 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.867 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.334 . . . . 0.02 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.02 111.287 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.02 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 49.3 m170 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.891 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.868 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.02 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.906 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.02 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.02 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.02 111.084 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.865 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.02 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.02 110.82 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.02 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG1' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.02 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.02 110.768 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 58' ' ' ILE . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.02 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.02 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.02 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.02 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.02 110.812 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.02 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.02 110.737 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.02 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 108' ' ' ASP . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.02 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.02 111.258 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.02 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.02 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.02 111.319 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.02 111.374 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 120' ' ' TYR . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.02 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.02 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.02 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.02 110.831 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.02 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.02 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.02 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.02 111.113 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.02 111.633 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.02 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.986 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.16 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.02 112.184 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.556 0.217 . . . . 0.02 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.02 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.02 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.291 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.72 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.429 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.02 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CD2' ' CG2' ' A' ' 18' ' ' ILE . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.434 ' N ' ' CE2' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.02 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.221 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.02 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.452 HG23 HD11 ' A' ' 92' ' ' ILE . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.202 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.02 110.658 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD1' ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.02 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.02 112.467 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.811 0.339 . . . . 0.02 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.02 111.163 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.02 110.365 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.02 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.02 111.496 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.02 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.02 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.02 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.02 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.02 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.02 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.257 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.02 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.453 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.02 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.02 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.932 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.02 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.02 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.02 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.905 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.02 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.02 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.794 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.02 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.932 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.02 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.02 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.933 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.129 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.125 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.461 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.02 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.02 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.02 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.02 111.037 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.167 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 83' ' ' PHE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.02 111.064 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.02 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.02 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.02 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.02 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.02 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.02 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.96 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.943 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.16 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.736 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.02 110.997 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.02 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.02 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.02 111.214 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.02 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . 0.412 ' CG1' ' CG2' ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.02 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.02 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.02 110.983 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.448 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.02 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 ' CG1' ' HB ' ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.02 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.823 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.117 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.02 111.086 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.02 112.322 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.02 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.02 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.02 111.1 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.77 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.431 ' CD2' HG21 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.02 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.02 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.02 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.02 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.02 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.02 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.02 111.336 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.02 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.02 111.04 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.02 112.572 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.811 0.339 . . . . 0.02 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.02 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.02 111.209 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.02 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.02 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.02 111.41 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.02 111.153 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.956 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.42 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.02 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.02 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.02 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.493 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.02 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.02 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.02 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.02 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.02 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.02 110.873 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.736 0.303 . . . . 0.02 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.02 111.255 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.02 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.885 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.978 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.02 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.02 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.949 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.02 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.02 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.02 111.187 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 84' ' ' PHE . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.02 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.02 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.02 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.02 111.061 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.02 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.02 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.422 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.02 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.02 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 84' ' ' PHE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.02 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.883 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.02 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.02 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.02 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.02 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.02 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.883 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.02 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.02 110.852 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.811 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.02 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.02 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.02 111.495 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.02 111.085 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.02 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.02 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.02 111.215 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.02 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.02 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.02 111.152 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CB ' ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.02 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.02 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.02 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' CG1' ' A' ' 28' ' ' ILE . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.02 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.162 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.02 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo . . . . . 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.02 112.423 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.648 0.261 . . . . 0.02 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.02 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.2 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.02 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE2' ' CG ' ' A' ' 89' ' ' HIS . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.02 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.02 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.91 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.02 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 13.3 t-160 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.02 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.92 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.02 111.089 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.02 112.428 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.02 111.21 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.165 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.834 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.02 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.02 111.259 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.02 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.02 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' A' ' 112' ' ' MET . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.02 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.02 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.02 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.02 111.052 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.02 110.586 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.02 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.172 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.02 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.02 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB2' ' CG ' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.02 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.02 110.844 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ptm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.814 0.34 . . . . 0.02 110.966 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.228 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.02 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.762 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 7' ' ' HIS . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.02 110.906 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.02 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CZ3' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.02 110.895 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.02 111.097 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' NE2' ' CZ3' ' A' ' 12' ' ' TRP . 5.2 mt-30 -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.02 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.02 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.02 110.967 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.02 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.02 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 26' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.02 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.505 ' N ' ' CG2' ' A' ' 25' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.02 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.13 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.455 ' CG1' ' CD1' ' A' ' 84' ' ' PHE . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' OG1' ' A' ' 80' ' ' THR . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.02 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.02 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.02 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.949 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.02 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.02 111.006 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.02 111.137 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.02 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.02 110.827 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HG13 ' A' ' 48' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.02 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.02 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.02 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.199 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.02 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.02 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.02 111.574 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.02 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.02 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.02 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.02 111.458 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.02 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.02 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.02 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.02 111.044 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.02 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.02 111.17 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo . . . . . 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.02 112.37 -179.937 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.678 0.275 . . . . 0.02 110.913 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.02 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.02 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.739 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.02 111.409 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.02 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 86' ' ' ARG . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.02 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.02 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.02 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.95 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.465 HG21 HD12 ' A' ' 92' ' ' ILE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.037 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.963 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.493 -179.959 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.837 0.351 . . . . 0.02 111.363 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.198 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.916 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.02 111.375 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.02 111.087 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.02 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.02 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.02 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.673 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.856 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.376 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.02 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.02 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.906 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.02 111.069 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.02 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.02 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.02 110.913 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.426 ' HG2' ' CD2' ' A' ' 46' ' ' TYR . 16.4 ptp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.33 . . . . 0.02 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.192 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.02 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.046 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.02 110.926 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.02 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.02 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.82 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.961 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.996 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.02 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.02 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.02 111.459 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.02 111.661 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.02 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CG2' ' CE2' ' A' ' 83' ' ' PHE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.02 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.02 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.02 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.02 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.02 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.02 110.908 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.02 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.02 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.422 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.02 111.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.02 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.438 ' CG1' HG21 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.02 111.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.02 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.02 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.438 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.02 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.136 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.02 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.02 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.02 111.577 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.02 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.02 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.02 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.02 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.444 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.02 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.02 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.444 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.02 110.805 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.02 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.916 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.02 111.209 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.02 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.02 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.112 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.02 112.265 -179.986 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.654 0.264 . . . . 0.02 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.02 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.02 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.02 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.02 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.428 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.946 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.02 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.02 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.02 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.02 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.02 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.02 112.586 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.811 0.338 . . . . 0.02 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.02 111.386 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.02 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.02 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.278 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.02 111.282 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.02 111.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.02 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.924 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.408 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.02 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.02 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.02 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.499 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.02 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.02 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 83' ' ' PHE . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.02 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.02 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.02 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.02 110.978 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.02 110.813 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.02 111.211 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.02 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.02 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.834 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.02 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.02 110.909 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.02 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.02 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.02 110.793 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.128 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.02 111.214 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.02 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.02 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.02 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.02 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.02 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.988 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.4 HG11 HG21 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.02 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 84' ' ' PHE . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.02 110.95 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.02 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.02 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.02 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.02 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.789 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.02 111.012 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.387 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.02 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.02 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.02 111.279 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.258 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.02 111.201 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.02 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.02 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.02 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.02 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.4 HG21 HG11 ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.02 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.02 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.02 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.118 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.02 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.422 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.02 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.02 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.483 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.02 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.483 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.02 112.436 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.689 0.28 . . . . 0.02 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.02 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.02 110.961 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.447 ' CD2' ' CD1' ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.42 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.02 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.02 111.101 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.02 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.841 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.02 112.47 -179.997 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.802 0.334 . . . . 0.02 111.261 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.084 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.02 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.02 111.323 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.02 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.02 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.02 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.02 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.02 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.02 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.643 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.658 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.02 111.252 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.02 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.235 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.02 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.42 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.02 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.914 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' MET . . . . . 0.416 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.02 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.212 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.02 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.02 110.649 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.02 111.117 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.02 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.02 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.02 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.02 110.663 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.867 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.02 110.642 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.935 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . 0.409 HG12 ' CD2' ' A' ' 84' ' ' PHE . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.02 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.02 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.02 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.02 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.02 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.02 111.342 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.02 111.09 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.02 111.372 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.02 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.02 111.006 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.02 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.02 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.02 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.02 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.02 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.031 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.02 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.02 110.949 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.047 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.02 111.407 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.02 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 48' ' ' ILE . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.02 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.34 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.02 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.02 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.02 111.228 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.02 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.204 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.02 111.414 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.02 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.02 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.02 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.02 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.795 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.02 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 6' ' ' PRO . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.02 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.02 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.929 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.02 112.341 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.516 0.198 . . . . 0.02 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.02 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.02 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.02 111.079 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.02 110.783 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' ' HB ' ' A' ' 92' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.02 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.927 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.02 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 5.1 t60 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 83' ' ' PHE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.02 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.02 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.754 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.02 112.516 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.734 0.302 . . . . 0.02 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.02 111.265 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.02 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.85 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.02 111.278 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.02 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.02 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.02 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.02 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.02 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.02 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.02 111.147 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.02 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.02 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.02 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.193 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.02 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.02 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.02 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.02 110.777 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.02 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.177 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.02 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.02 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.02 110.853 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.867 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.02 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.02 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.961 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.02 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.156 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.984 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.02 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.02 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.02 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG2' ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.02 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.509 ' H ' ' CG2' ' A' ' 25' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.02 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.02 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.402 ' NH2' ' CG2' ' A' ' 37' ' ' THR . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.02 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.02 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.02 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.02 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.402 ' CG2' ' NH2' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.02 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.819 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.121 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.02 111.073 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . 0.407 ' CB ' ' HB2' ' A' ' 108' ' ' ASP . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.02 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.303 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.02 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.02 111.23 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.02 111.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.02 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.103 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.444 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.02 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.02 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.02 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.02 110.908 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.02 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.909 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.409 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.02 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.215 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.02 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.02 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . 0.477 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.02 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.02 112.389 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.696 0.284 . . . . 0.02 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.02 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.02 111.505 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.02 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.02 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.02 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.81 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' PHE . 4.2 m80 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.02 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.02 111.181 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.02 112.456 -179.943 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.841 0.353 . . . . 0.02 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.1 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.791 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.02 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.02 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.02 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.02 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.02 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.02 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.02 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.02 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.02 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.02 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.471 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.02 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 83' ' ' PHE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.02 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.02 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.02 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.02 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.949 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.588 0.233 . . . . 0.02 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.02 111.254 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.02 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.02 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.824 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.02 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.02 111.031 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.02 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.02 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.908 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.168 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.02 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.02 111.16 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.165 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.02 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.02 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.02 110.987 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.311 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 83' ' ' PHE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.02 111.254 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.941 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.02 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.02 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.02 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.02 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.02 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.02 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.02 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.02 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.02 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.02 110.496 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.02 110.904 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.02 111.197 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.02 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.02 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.02 112.214 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.02 111.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.02 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.02 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.02 111.917 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.02 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CZ ' ' OH ' ' A' ' 120' ' ' TYR . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.02 111.163 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.02 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.02 111.049 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.02 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.02 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.597 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.02 111.317 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.8 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.02 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.039 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.02 112.311 179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.493 0.187 . . . . 0.02 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.02 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.02 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.767 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.02 110.591 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 88' ' ' LYS . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.02 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.956 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.02 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.02 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.02 110.963 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.935 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.02 112.502 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.02 111.285 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.02 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.02 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.441 ' CB ' HG22 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.02 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.02 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.02 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.02 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.02 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.02 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 115' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.02 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.05 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.02 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.02 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ILE . . . . . 0.464 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.02 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.02 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' TYR . . . . . 0.402 ' OH ' ' CZ ' ' A' ' 55' ' ' PHE . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.02 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.02 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.02 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.927 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.796 0.331 . . . . 0.02 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.38 -175.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.89 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 7' ' ' HIS . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.413 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.02 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.406 ' O ' ' CD2' ' A' ' 9' ' ' HIS . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.02 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.422 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 16.4 m80 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.853 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.02 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.02 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.844 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.091 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.02 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.02 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.245 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.02 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.3 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.02 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.02 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.02 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.02 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.02 110.999 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.427 ' CG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.02 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.427 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.02 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.441 ' CG2' ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.02 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.154 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.934 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.412 ' CE1' HG11 ' A' ' 61' ' ' VAL . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.889 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.02 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.02 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.02 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.02 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.02 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.925 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.02 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.02 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.862 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.02 110.687 179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.427 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.02 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.02 111.285 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.02 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.427 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.02 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.02 111.165 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.02 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.445 ' CG1' ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.02 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.02 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.445 ' CD1' ' CG1' ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.02 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.476 ' CB ' ' CZ ' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.02 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.451 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.02 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.414 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.02 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.451 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.02 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.874 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.412 HG11 ' CE1' ' A' ' 30' ' ' PHE . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.02 111.101 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.827 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.115 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.02 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.422 ' HG3' ' CD2' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.02 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.02 111.096 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 60.06 5.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.02 112.42 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.06 54.04 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.939 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 60.63 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.02 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -88.63 -33.82 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.02 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 tptt 67.95 -69.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.953 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -176.62 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.02 110.945 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -144.13 30.96 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -47.89 -31.75 5.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.02 111.235 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mt -74.43 142.3 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.895 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 77' ' ' ASP . 37.3 p90 -177.15 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' CD1' ' A' ' 76' ' ' TYR . 9.1 t70 -85.87 142.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.02 110.973 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.02 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.02 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.131 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.983 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.441 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.444 ' CD2' ' CD1' ' A' ' 18' ' ' ILE . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.02 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.413 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.02 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.408 HD13 HG23 ' A' ' 90' ' ' ILE . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.128 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.427 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.006 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.406 HD23 ' CZ ' ' A' ' 83' ' ' PHE . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.38 70.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.02 112.356 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -58.72 127.12 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.02 110.972 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.26 -27.72 10.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 0.02 112.384 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -139.74 -51.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.02 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -177.69 175.43 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.7 146.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.967 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.02 111.294 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.02 111.127 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.02 110.735 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.02 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.02 111.155 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.132 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.02 110.66 -179.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.406 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.02 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.02 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.129 -179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.02 110.923 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.02 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.02 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.481 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.02 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.481 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.02 111.33 -179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.476 ' CZ ' ' CB ' ' A' ' 56' ' ' ALA . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.02 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.02 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.413 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.02 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -96.59 -42.47 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.93 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 60.98 80.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.02 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -174.31 -124.02 0.77 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.02 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -166.22 32.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.02 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.364 -1.242 . . . . 0.02 112.492 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.775 0.321 . . . . 0.02 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -105.94 -66.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.35 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.856 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.426 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.02 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.2 p-80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.993 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.449 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.956 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.02 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.02 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.02 111.04 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.02 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.02 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.02 111.098 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.559 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.02 110.984 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.079 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.897 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.02 112.519 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 64' ' ' THR . 29.3 m170 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.02 110.943 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.02 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.02 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.02 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.02 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.976 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.711 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.02 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.02 110.679 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.661 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.02 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.02 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.067 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.407 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.02 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.02 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.413 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.02 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.432 ' CB ' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.02 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.861 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.444 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.02 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CD1' ' CD1' ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.813 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.123 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.458 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 32' ' ' HIS . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.02 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.02 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.02 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.21 83.37 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.02 112.276 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.73 -31.89 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.411 ' CE2' ' HD3' ' A' ' 71' ' ' LYS . 1.8 t80 -155.68 -56.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.02 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 -79.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.972 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.411 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER 68.35 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.02 110.993 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 tpt -157.12 -46.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -156.4 36.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.71 -33.2 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.02 111.287 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 4.1 pp -71.91 125.15 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.891 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 -66.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.39 141.49 91.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.819 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.02 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.106 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.089 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.445 ' CE2' ' CG1' ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.02 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.02 110.9 179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.906 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.02 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.471 HG22 HD13 ' A' ' 90' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.02 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.02 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.421 HD11 ' CG ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.02 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.02 110.759 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.16 112.22 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.02 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 69.6 m -163.97 -62.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.02 110.887 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.89 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.02 112.451 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -176.61 166.92 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.02 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -62.48 102.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.2 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.02 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 141.52 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.02 111.238 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.132 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.836 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.02 111.369 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.02 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.02 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.02 110.728 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.02 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.02 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.02 111.226 -179.75 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.421 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.02 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.02 110.569 179.679 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.434 HG23 ' CD1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.02 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.445 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.434 ' CD1' HG23 ' A' ' 116' ' ' ILE . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.413 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.02 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.02 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.02 111.115 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -95.31 -29.93 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.958 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.3 tttm 62.45 117.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.08 101.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.02 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 60.72 80.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.02 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.414 -1.215 . . . . 0.02 112.554 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.02 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -109.58 -63.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm 61.06 156.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.801 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.409 ' O ' ' CE1' ' A' ' 7' ' ' HIS . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.02 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CD2' HD11 ' A' ' 60' ' ' LEU . 54.3 m80 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.02 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.835 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.896 -179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.02 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.02 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.02 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.02 110.937 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.423 HG22 HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.02 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.02 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.02 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 HG21 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.02 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.158 179.68 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.19 -179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.02 110.874 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.912 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.897 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.02 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.02 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . 0.421 ' HA ' ' CE3' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.02 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.969 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.937 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.02 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.02 111.028 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.02 111.36 -179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.02 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.02 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.02 111.304 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.02 111.139 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.02 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.71 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.02 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.02 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.02 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.02 110.973 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.02 110.943 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.459 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.02 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.421 HD11 ' CD2' ' A' ' 7' ' ' HIS . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.02 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.02 111.111 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.886 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.271 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.02 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.141 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.89 79.92 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.02 112.35 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -76.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.947 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -103.05 26.85 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.011 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.53 179.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.02 111.043 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -59.31 -17.56 30.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.02 111.447 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mtt -45.72 -80.55 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.576 -0.283 . . . . 0.02 111.556 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.57 -27.78 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.02 110.962 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -56.39 -67.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 0.02 111.246 -179.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.6 tt -68.86 156.97 37.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.02 111.04 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 3.5 t80 63.54 30.75 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.02 111.066 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 141.46 27.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.792 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.02 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.02 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.02 110.992 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.02 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.452 ' CE2' ' CG1' ' A' ' 119' ' ' VAL . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.02 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.491 ' CE2' ' CG ' ' A' ' 89' ' ' HIS . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.418 ' CE2' HG21 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.02 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.02 110.89 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.02 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.491 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.02 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.02 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.425 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.02 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.919 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.82 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.52 -80.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.02 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -140.64 153.07 45.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.02 110.959 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.74 100.28 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.636 -0.792 . . . . 0.02 112.517 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -82.9 -31.8 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.02 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -107.02 160.35 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.47 133.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.02 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.92 147.77 3.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.232 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.091 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.841 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.02 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.02 111.302 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.02 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.407 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.02 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.02 110.824 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.4 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.02 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.02 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.407 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.02 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.407 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.02 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.02 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.486 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.02 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.452 ' CG1' ' CE2' ' A' ' 83' ' ' PHE . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.02 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.4 ' OH ' ' CE1' ' A' ' 55' ' ' PHE . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.02 110.822 179.951 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.02 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.02 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -31.18 41.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.02 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 117.89 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.935 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -103.34 -169.99 25.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.02 112.484 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 60.63 111.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.02 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.476 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.349 . . . . 0.02 111.195 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -87.05 -69.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.864 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.01 -70.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.02 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.414 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.02 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.765 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.02 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.02 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.02 110.978 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.02 110.882 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.434 HD12 HG23 ' A' ' 18' ' ' ILE . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.02 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.02 111.035 -179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.02 111.052 179.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 ' HB ' ' CG1' ' A' ' 58' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.418 HD11 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.02 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.017 -179.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.02 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.02 112.519 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.02 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.02 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.02 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.02 110.925 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.02 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.02 111.016 -179.8 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.02 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.02 111.262 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.02 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.02 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.413 HG22 ' CG2' ' A' ' 44' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.02 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.02 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.02 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.02 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.02 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.42 ' HB1' ' CE2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.02 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.422 ' HB ' ' CE2' ' A' ' 59' ' ' TYR . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.202 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.02 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.02 111.843 -179.809 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.02 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.117 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -77.7 58.76 6.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.02 112.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.2 m-20 -85.04 -75.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.985 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 3.0 p90 -141.72 63.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.889 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.84 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 79.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.02 110.961 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtp 64.11 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.921 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -154.07 29.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.02 110.929 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -48.59 -33.84 10.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.02 111.263 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -60.12 86.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.02 110.908 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -145.84 29.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.06 147.02 36.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.313 -0.403 . . . . 0.02 110.784 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.02 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.02 110.832 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.699 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.02 111.265 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.02 110.594 179.806 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.464 ' CZ ' ' CG2' ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.02 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.432 ' CD2' ' HA ' ' A' ' 89' ' ' HIS . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.02 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.02 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.432 ' HA ' ' CD2' ' A' ' 84' ' ' PHE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.02 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.464 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.02 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.02 110.908 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.02 111.101 -179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.02 110.924 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.02 110.95 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -104.64 -144.21 12.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.02 112.524 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 8.9 t -87.23 153.43 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.02 110.925 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.94 132.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.02 112.507 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -131.22 -67.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 0.02 110.895 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.7 -31.54 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -121.96 97.37 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.871 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 140.33 12.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.02 111.24 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.02 111.153 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.02 110.669 179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.02 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.02 111.281 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.02 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.02 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.473 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.02 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.02 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.02 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.549 179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.402 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.02 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.02 111.143 -179.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.422 HG23 ' CD1' ' A' ' 120' ' ' TYR . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.02 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.02 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.02 111.394 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.422 ' CD1' HG23 ' A' ' 116' ' ' ILE . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.02 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.02 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 150.82 7.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.02 111.075 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt 59.6 176.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.88 109.94 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.02 112.512 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -104.85 153.07 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.02 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.02 112.506 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.807 0.337 . . . . 0.02 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -60.2 128.61 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.02 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.27 -53.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.919 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.02 111.135 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.02 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.02 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.774 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.02 110.942 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.02 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.02 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.034 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.02 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.02 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.02 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.945 -179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.02 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.02 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.02 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.418 HG12 ' CD1' ' A' ' 83' ' ' PHE . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.02 110.825 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.02 111.447 179.666 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.02 111.067 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.963 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.02 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.02 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.02 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.02 110.972 -179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.02 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.02 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.978 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.02 110.932 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.02 110.825 179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.02 111.161 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.02 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.02 111.3 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.02 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.02 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.287 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.02 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.02 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.02 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.02 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.02 111.025 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.434 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.02 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.434 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.02 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.935 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.02 111.097 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.99 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.06 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.02 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.02 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.02 110.987 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 89.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.02 112.235 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -90.04 176.03 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.02 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.13 38.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.813 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.31 -69.82 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.13 -69.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.974 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.9 mtt -144.3 -54.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.953 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CG ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -162.73 30.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.919 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.64 -67.01 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.089 0.471 . . . . 0.02 111.29 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.53 109.38 19.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.731 -0.668 . . . . 0.02 110.987 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' CG ' ' CE2' ' A' ' 73' ' ' TYR . 1.3 t80 -177.54 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.889 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -81.5 150.01 66.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.02 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.817 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.022 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.181 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.02 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.02 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.449 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.02 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.415 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.02 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.02 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.02 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.02 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.474 HG21 HD12 ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.902 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.462 HG23 HD11 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.864 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.35 -128.23 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.508 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -141.17 158.32 44.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.02 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.47 -45.29 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.687 -0.768 . . . . 0.02 112.435 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.35 33.44 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.02 110.943 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -158.23 -62.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.02 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.79 -173.41 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.02 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -49.94 167.85 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.283 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.193 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.854 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.299 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.02 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.441 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.02 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.02 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.418 ' O ' HG22 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.02 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.02 110.929 179.676 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.02 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.02 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.02 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.02 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.02 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.02 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.411 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.02 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.02 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.414 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.02 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -100.08 -34.88 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.991 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.61 -69.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.28 -47.57 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.02 112.511 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -60.62 86.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.02 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.02 112.454 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.832 0.348 . . . . 0.02 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.45 158.68 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.891 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp -97.29 -75.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.02 110.945 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.421 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.02 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.418 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.02 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.02 110.787 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.414 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.02 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.02 110.917 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.02 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.02 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.02 111.032 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.02 111.074 179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.02 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' CZ ' ' CD2' ' A' ' 120' ' ' TYR . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.02 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.426 HG22 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.02 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.02 111.022 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.437 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.407 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.02 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.79 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.02 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.02 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.02 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.72 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.02 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.02 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.814 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.645 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.02 110.964 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.626 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.02 110.801 179.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 48' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.02 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.02 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.419 HG13 ' HA ' ' A' ' 45' ' ' LEU . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.02 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.02 111.182 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.02 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.02 111.789 -179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.02 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.02 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.02 110.799 179.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.168 -179.852 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.425 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.425 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.02 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.02 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.02 110.98 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.02 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.414 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.77 99.9 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.02 112.279 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 12.8 p-10 -89.95 -175.35 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.893 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -141.67 80.43 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.02 110.97 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -156.91 32.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 58.46 22.28 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.02 111.101 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 mmm 53.72 30.49 11.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.427 -0.351 . . . . 0.02 111.125 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -128.59 -59.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.854 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.77 -48.49 59.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.209 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 66.7 mt -90.01 77.49 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 0.02 110.91 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -138.77 31.18 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.33 154.93 51.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.02 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.02 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.02 111.158 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.02 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.437 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.02 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.02 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.02 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.02 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.917 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.133 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.971 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.419 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.978 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.32 133.73 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.02 112.515 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 73.6 p -106.91 79.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.02 110.845 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.04 -73.64 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.02 112.458 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.05 -173.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.02 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.66 31.41 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.892 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -157.41 127.52 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.84 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.82 158.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.326 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . 0.417 HG21 HD11 ' A' ' 102' ' ' ILE . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.02 111.028 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.02 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.02 111.325 179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.02 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.02 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.479 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.02 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.02 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.02 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.02 110.684 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.945 179.749 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.02 110.626 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.02 111.16 -179.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.02 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.426 HG12 ' CE2' ' A' ' 83' ' ' PHE . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.02 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.02 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.02 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.02 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.02 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 177.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.02 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 85.67 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.76 85.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.02 112.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.5 158.82 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.02 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.451 -1.194 . . . . 0.02 112.486 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.884 0.373 . . . . 0.02 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.42 140.49 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.02 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.07 -169.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.87 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.229 -179.773 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.422 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.02 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.425 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 2.1 t60 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.02 110.807 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.02 111.056 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 10.8 m-80 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.982 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.02 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.02 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.068 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.02 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.415 HD13 ' CD2' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.982 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.02 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.02 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.02 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.433 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.02 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.02 111.401 179.714 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.412 HG21 ' CD2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.02 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.421 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.923 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.02 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.02 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.02 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.02 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.831 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.02 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.02 110.815 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.847 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.02 111.103 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.02 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.02 110.824 179.725 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.41 ' HA ' HG13 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.02 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.02 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.02 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.02 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.074 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.334 -179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.02 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.02 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.405 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.02 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.459 ' CB ' ' CZ ' ' A' ' 120' ' ' TYR . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.02 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.423 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.449 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.425 ' HB3' ' CE1' ' A' ' 7' ' ' HIS . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.02 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.02 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.02 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.02 110.547 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.02 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.482 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.02 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.482 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo -50.22 144.17 23.87 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.02 112.449 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -82.23 -30.39 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.02 110.903 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -123.47 73.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.02 110.942 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -124.67 1.81 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.02 111.258 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -72.53 -39.37 67.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.02 110.988 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -18.91 17.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.02 111.192 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -143.88 50.49 1.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.849 0.356 . . . . 0.02 110.741 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -42.58 -37.13 1.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.02 111.501 -179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.32 162.04 15.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.02 110.922 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -178.9 -82.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.02 110.73 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.21 141.71 27.92 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.02 110.862 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.02 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.02 110.574 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.02 111.04 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.248 179.747 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.417 ' CD1' ' CG2' ' A' ' 92' ' ' ILE . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.02 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.421 ' CD1' HD13 ' A' ' 28' ' ' ILE . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.02 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.02 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' PHE . 9.9 m-80 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.912 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.417 ' CG2' ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.066 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.02 111.029 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.03 -146.0 12.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.02 112.452 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 61.0 m -152.56 85.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.02 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.37 -158.7 1.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.02 112.525 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -65.74 -32.76 74.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.02 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.37 32.2 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 62.88 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.02 111.039 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -49.86 119.94 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.02 111.233 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.11 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.749 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.02 111.234 179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.02 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.02 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.02 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.416 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.02 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.02 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.02 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.02 111.359 -179.562 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.02 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.02 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.02 110.687 179.667 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.447 ' CG2' ' CD2' ' A' ' 120' ' ' TYR . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.02 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.02 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.02 111.434 -179.73 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.459 ' CZ ' ' CB ' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.02 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.02 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.02 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.02 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 30.5 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.006 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -177.5 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.02 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.93 23.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.02 112.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -157.68 141.92 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.02 110.968 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.367 -1.241 . . . . 0.02 112.498 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.771 0.32 . . . . 0.02 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -83.33 101.19 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp -86.44 129.45 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.24 -179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.02 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.401 ' CD2' ' CG2' ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.02 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.938 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.02 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.02 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.02 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.401 ' CG2' ' CD2' ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.944 -179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.02 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.02 111.272 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.412 HG22 ' CD2' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.109 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.02 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.463 ' NH1' ' CD1' ' A' ' 120' ' ' TYR . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.434 HG11 ' CD1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.02 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.02 110.907 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.411 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB2' ' NH1' ' A' ' 29' ' ' ARG . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.02 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.962 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.02 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.02 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.02 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.02 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.02 110.98 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.02 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.964 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.02 111.364 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.02 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.02 110.916 179.642 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.02 111.286 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.02 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.439 -179.619 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.02 111.086 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.02 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.02 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.02 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.02 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.02 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.02 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 HG23 ' CE2' ' A' ' 59' ' ' TYR . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.02 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.403 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.02 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.431 ' CE2' HG23 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.02 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.873 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.02 110.94 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.904 -179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.02 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.02 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.872 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 95.3 Cg_exo -43.94 -29.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.02 112.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.61 87.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.02 110.854 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.68 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.02 111.004 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 12.6 p30 -176.55 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.02 111.022 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tttp 69.81 -66.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mtp -136.07 -63.37 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.02 110.96 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.412 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 15.4 p90 -156.23 37.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.809 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -48.81 -53.95 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.386 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -90.27 56.26 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.02 111.124 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.412 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -76.27 -69.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.02 110.838 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 165.52 13.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.02 110.84 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.02 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.02 110.869 179.871 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.729 179.841 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' ' CD2' ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.02 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.965 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.02 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.412 ' CD2' HG22 ' A' ' 18' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.45 ' CZ ' ' CD1' ' A' ' 92' ' ' ILE . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.02 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.02 110.894 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.02 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.02 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.072 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.02 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.02 111.075 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD2' ' CG2' ' A' ' 81' ' ' VAL . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.02 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.36 -129.35 2.74 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.02 112.424 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.0 t -98.74 -46.24 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.02 110.936 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.92 148.37 8.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.02 112.524 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -176.37 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.02 110.877 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -144.85 36.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.864 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 62.81 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.026 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -49.95 107.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.02 111.233 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.133 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.02 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.02 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.02 111.447 -179.699 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.02 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.02 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.02 112.222 -179.089 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.415 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.02 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . 0.408 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.02 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.02 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.426 ' O ' HG22 ' A' ' 115' ' ' ILE . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.02 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.415 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.02 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.02 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.434 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.02 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.434 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.418 HG12 ' CE1' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.02 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.02 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.02 111.101 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -92.78 -46.54 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.965 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -176.7 153.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.885 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.3 -99.38 1.04 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.02 112.519 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.63 84.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.02 110.852 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.362 -1.243 . . . . 0.02 112.531 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.878 0.37 . . . . 0.02 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -150.71 78.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm 61.0 100.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.02 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.02 111.18 -179.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.02 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.2 p80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.02 110.883 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.411 HD23 ' CE2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.935 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.02 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.02 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.02 111.071 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.096 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.973 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.02 110.931 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.02 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.425 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.02 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.02 111.744 -179.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.02 110.377 179.581 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.426 ' HB ' HG12 ' A' ' 58' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.02 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.457 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.02 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.02 111.042 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.02 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.02 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.02 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.02 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.669 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.02 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.02 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.02 110.826 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.74 179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.02 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.422 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.02 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.02 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 ' HA ' HG22 ' A' ' 48' ' ' ILE . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.02 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.02 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.471 HD11 HG21 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.02 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.02 111.258 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.02 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.02 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.434 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.02 111.339 -179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.02 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.415 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.02 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.02 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.02 111.155 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.469 HG21 HD13 ' A' ' 58' ' ' ILE . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.02 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.457 ' CE2' ' CG2' ' A' ' 28' ' ' ILE . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.02 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.406 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.02 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.02 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.02 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.94 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.02 110.511 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.02 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.45 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.02 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.45 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo -78.52 130.72 10.05 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.02 112.473 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.39 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.02 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -85.47 57.57 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.02 110.807 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -159.64 -46.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.727 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.74 85.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.02 111.044 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 179.25 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.02 110.758 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -113.93 -26.49 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.02 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -39.89 91.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.335 -0.393 . . . . 0.02 111.095 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.8 pp -65.35 137.3 57.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.083 -0.508 . . . . 0.02 110.897 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -176.77 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.895 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.14 148.32 42.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.02 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.185 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.031 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.424 ' CD2' HG12 ' A' ' 119' ' ' VAL . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.02 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.944 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.02 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.02 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.011 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.02 110.989 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.416 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.02 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.041 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.02 110.825 179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.58 -109.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.02 112.498 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 88.6 m -164.07 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.02 110.884 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.56 86.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.02 112.531 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.88 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.02 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.7 -169.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.928 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.58 -76.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.02 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt -50.56 100.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.02 111.359 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.02 111.021 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.139 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.02 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.02 111.189 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.02 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.02 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.02 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.02 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.923 179.886 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.135 179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.02 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.02 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.491 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.424 HG12 ' CD2' ' A' ' 83' ' ' PHE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.924 -179.804 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.02 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.02 111.06 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -95.25 -74.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.02 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -169.68 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.894 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -153.54 105.45 0.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.745 . . . . 0.02 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 60.62 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.02 110.946 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.504 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.815 0.341 . . . . 0.02 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -142.83 31.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.918 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm -62.84 159.66 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.905 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.02 111.2 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.02 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.905 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.945 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.02 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.02 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.879 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.02 111.029 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.02 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.02 111.085 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.053 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.02 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.02 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.02 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.431 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.02 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.02 111.264 179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.855 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.163 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' NH1' ' HB2' ' A' ' 29' ' ' ARG . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.02 112.485 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.02 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.02 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.02 110.786 -179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.02 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.02 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.691 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.849 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.02 111.498 -179.737 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.489 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.02 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.489 ' N ' ' HG3' ' A' ' 43' ' ' GLU . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.02 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.406 ' HA ' ' CG1' ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.02 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.406 ' CG1' ' HA ' ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.02 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.02 111.197 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.02 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.02 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.02 111.373 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.02 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' CB ' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.02 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.404 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.02 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.02 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.073 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.02 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.02 110.97 -179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.064 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.02 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.02 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.02 111.253 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.1 -26.74 83.29 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.02 112.259 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -78.67 80.03 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.02 110.797 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.52 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.971 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -133.94 -46.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.02 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 63.9 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.02 110.879 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.7 mmt -105.42 -69.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.02 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.72 28.58 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.936 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -49.3 -34.05 14.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 0.02 111.307 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 1.3 mt -73.43 -170.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.976 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.4 t80 79.76 -55.04 0.4 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.054 -0.521 . . . . 0.02 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.65 139.0 91.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 0.02 110.8 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.02 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.02 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.02 111.362 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.75 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.01 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.751 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.492 ' O ' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.02 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.02 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.997 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.02 111.007 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.02 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.047 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.02 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.02 111.008 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.35 -153.45 22.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.02 112.506 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -127.57 -172.65 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.722 0.296 . . . . 0.02 110.974 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 137.65 -127.13 3.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 0.02 112.454 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.13 -31.47 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.02 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -153.38 133.46 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.02 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -59.53 -75.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.855 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 94.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.02 111.275 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.02 111.127 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.87 179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.05 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.02 111.308 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.02 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.02 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.02 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.464 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.02 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.02 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.02 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 115' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.025 179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.02 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.02 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.02 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.4 ' CG2' ' CD1' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.02 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.452 ' CE2' ' CG2' ' A' ' 116' ' ' ILE . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.02 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.02 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.02 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.41 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.02 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -72.88 -73.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.02 110.883 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -109.23 -63.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.823 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.62 135.91 2.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.02 112.434 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -147.4 -50.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.02 110.913 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.357 -1.246 . . . . 0.02 112.568 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.795 0.331 . . . . 0.02 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.23 159.97 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt -133.56 -77.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.962 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.407 HD11 ' CE1' ' A' ' 7' ' ' HIS . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.02 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.02 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.407 ' CE1' HD11 ' A' ' 5' ' ' LEU . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.02 110.949 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.729 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.933 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.02 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.02 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.832 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.025 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.02 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.02 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.976 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.02 111.006 179.892 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.02 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.02 111.003 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.02 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.02 111.342 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.02 111.498 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 ' CG1' ' CB ' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.02 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.442 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.02 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.402 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.02 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.02 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.02 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.02 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.02 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.02 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.02 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.778 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.02 110.95 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.095 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.02 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.086 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.09 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.02 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.02 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.02 111.003 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.02 111.172 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.02 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.992 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.02 111.151 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.02 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.02 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.02 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.431 ' HB ' ' CE1' ' A' ' 59' ' ' TYR . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.448 ' CD1' ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' N ' ' CD1' ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.403 ' N ' ' CD2' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.02 111.109 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.472 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo -76.15 130.73 12.37 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.02 112.384 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.12 -31.05 58.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.926 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -125.07 74.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.841 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -95.93 -28.46 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.02 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -55.45 -23.93 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.02 111.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -79.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.02 110.975 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -156.6 25.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.008 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -68.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.06 0.457 . . . . 0.02 111.181 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -61.13 155.81 19.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.655 -0.702 . . . . 0.02 110.975 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -176.71 -68.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.845 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.99 161.06 39.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.02 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.02 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.132 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.141 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.442 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.02 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CZ ' ' CD2' ' A' ' 89' ' ' HIS . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.02 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.02 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.02 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.939 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.02 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 15.3 m170 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.02 111.04 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.02 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.419 ' HB ' ' CG ' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.02 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.927 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.07 -97.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.02 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 32.6 p -132.48 -172.33 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.02 110.869 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.62 175.58 46.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.02 112.461 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -91.07 -74.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.02 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -98.85 -46.59 5.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.934 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -160.36 -67.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.994 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.96 146.05 5.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.02 111.264 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.19 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.02 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.02 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.02 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.02 110.71 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.02 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.476 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.02 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.476 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.02 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.02 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.02 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.753 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.949 179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.02 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.02 110.591 179.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.02 111.143 -179.444 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.02 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.02 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.267 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.02 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.02 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.02 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.02 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -94.37 162.61 13.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.867 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -100.88 -37.93 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.928 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.85 -128.46 2.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.02 112.528 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -131.02 -73.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.02 110.924 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.37 -1.239 . . . . 0.02 112.591 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.801 0.334 . . . . 0.02 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' OH ' ' CE1' ' A' ' 7' ' ' HIS . 1.4 t80 -160.81 143.5 12.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.879 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt -131.29 -75.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.02 111.287 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.407 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.02 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.419 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 49.3 m170 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.891 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.868 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.02 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.906 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.02 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.02 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.02 111.084 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.451 ' CG2' ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.865 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.02 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.02 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.02 110.82 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.403 ' CG1' ' CB ' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.02 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.429 ' CG1' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.02 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.02 110.768 179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.412 ' NH2' ' CD1' ' A' ' 58' ' ' ILE . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.471 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.02 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.02 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.02 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.02 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.02 110.812 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.02 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.02 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.02 110.737 179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.02 110.955 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.02 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.436 HG12 ' HA ' ' A' ' 108' ' ' ASP . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.02 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.02 111.258 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.02 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.414 HG12 ' CG1' ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.02 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.02 111.319 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.02 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.02 111.374 -179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.416 HG13 ' CD2' ' A' ' 120' ' ' TYR . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.02 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.02 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.02 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.02 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.02 110.831 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.454 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.02 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.02 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.419 ' HB2' ' CD2' ' A' ' 7' ' ' HIS . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.02 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.02 111.113 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.02 111.633 -179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.02 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.986 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.16 -179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.58 85.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.02 112.184 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -73.93 -71.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.905 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.06 40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.02 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -59.38 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.948 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 63.77 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 mtp -109.0 -61.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.874 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -161.18 30.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.44 -33.71 9.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.02 111.263 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.3 tt -67.33 77.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.854 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -110.27 -31.07 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.02 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.23 134.64 42.88 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.02 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.02 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.291 -179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.72 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.429 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.02 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.451 ' CD2' ' CG2' ' A' ' 18' ' ' ILE . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.403 ' CE2' ' HB3' ' A' ' 123' ' ' ALA . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.02 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.434 ' N ' ' CE2' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.02 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.221 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.02 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.452 HG23 HD11 ' A' ' 92' ' ' ILE . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.202 -179.842 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.02 110.658 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.402 ' CD1' ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.02 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.1 149.87 18.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.02 112.467 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.8 m -66.48 -69.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.02 110.999 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.08 44.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.02 112.544 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.21 -31.75 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.02 110.842 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -155.72 31.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.02 110.849 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.43 -81.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.02 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -50.03 99.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.401 -0.363 . . . . 0.02 111.253 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.02 111.163 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.02 110.365 179.641 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.02 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.02 111.496 -179.313 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.02 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.02 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.436 ' HA ' HG12 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.02 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.428 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.02 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.02 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.02 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.257 179.878 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.02 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.453 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.02 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.02 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.932 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.02 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.02 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.02 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.403 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.02 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -69.13 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.0 -49.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.554 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -150.68 93.93 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.02 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.434 -1.203 . . . . 0.02 112.48 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.815 0.341 . . . . 0.02 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -160.07 103.74 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.413 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm -170.16 -70.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.933 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD22 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.417 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.02 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.794 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.02 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.932 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.02 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.02 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.933 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.1 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.897 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.02 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.02 111.129 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.125 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.461 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.02 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.02 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.02 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.02 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.02 111.037 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.167 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.431 HG21 ' CD2' ' A' ' 83' ' ' PHE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.02 111.064 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.932 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.977 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.02 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.02 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.02 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.02 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.02 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.02 110.872 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.02 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.96 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.02 110.943 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.16 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.736 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.02 110.997 179.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.417 ' CE1' HD22 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.02 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.42 ' CD1' ' CG2' ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.02 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.02 111.214 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.02 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . 0.412 ' CG1' ' CG2' ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.02 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.02 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.02 110.983 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.448 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.02 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 ' CG1' ' HB ' ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.02 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.448 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.02 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.823 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.117 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.893 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.02 111.086 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -43.51 52.85 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.02 112.322 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.42 -178.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 60.2 93.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.892 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -162.01 -48.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.02 110.849 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.92 -79.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.411 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.4 ptt? -138.44 -50.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.02 110.924 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.411 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 17.3 p90 -165.59 33.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.913 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.73 -31.53 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.256 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.4 mp -72.57 119.17 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.87 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -172.22 -61.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.21 149.03 77.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.842 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.02 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.02 111.1 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.77 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.431 ' CD2' HG21 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.02 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.437 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.02 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.421 ' CD2' ' HB3' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.02 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.02 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.02 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.02 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.02 111.336 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.02 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.02 111.04 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.013 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.32 -133.66 3.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.02 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -60.38 102.07 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.02 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.57 14.86 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.665 -0.779 . . . . 0.02 112.484 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.92 -34.22 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.02 110.894 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -164.58 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.904 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -85.94 68.85 10.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -49.94 161.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.02 111.253 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.02 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.898 179.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.02 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.02 111.209 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.02 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.02 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.02 111.41 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.02 111.153 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.956 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.42 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.02 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.02 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.493 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.02 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.493 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.02 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.02 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.459 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.02 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.02 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.02 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.421 ' HB3' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.02 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -94.23 -174.51 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.02 110.873 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm 60.56 95.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.52 -28.56 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.02 112.447 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.54 -46.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.02 110.916 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.373 -1.237 . . . . 0.02 112.52 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.817 0.341 . . . . 0.02 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -118.34 143.35 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt 63.8 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.02 110.954 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.02 111.255 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.02 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.02 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.885 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.02 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.978 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.02 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.02 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.949 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.111 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.02 111.027 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.02 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.02 111.187 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.42 HG23 ' CD2' ' A' ' 84' ' ' PHE . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.02 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.275 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.02 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.02 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.02 111.061 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.02 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.422 ' CG1' ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.02 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.422 ' N ' ' CG1' ' A' ' 25' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.02 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.446 ' CG2' ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.02 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.41 HG23 ' CE1' ' A' ' 84' ' ' PHE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.02 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.883 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.02 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.02 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.02 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.02 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.02 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.883 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.02 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.02 110.852 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.811 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.02 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.41 ' O ' ' CG2' ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.02 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.02 111.495 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.02 111.085 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.02 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.02 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.02 111.215 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.02 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.02 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.02 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.02 111.152 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.402 HG21 ' CB ' ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.02 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.439 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.02 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.439 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.02 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.4 ' CG2' ' CG1' ' A' ' 28' ' ' ILE . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.02 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.162 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.02 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.02 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo -49.44 137.89 31.46 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.02 112.423 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.93 56.0 3.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.02 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 60.83 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.939 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' CB ' ' CB ' ' A' ' 74' ' ' GLU . 45.6 m-80 -157.18 42.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.927 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 65.84 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.02 110.908 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.9 mtm -169.75 -71.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.02 110.505 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -86.07 -40.61 15.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 0.02 110.276 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CB ' ' CB ' ' A' ' 70' ' ' ASN . 2.0 tp10 -72.9 -68.17 0.51 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.038 -0.528 . . . . 0.02 111.062 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.5 129.45 37.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.02 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.46 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.02 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.02 153.0 68.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.02 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.2 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.02 110.845 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.446 ' CZ ' ' CG2' ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.02 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.499 ' CE2' ' CG ' ' A' ' 89' ' ' HIS . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.422 ' CE2' ' HB3' ' A' ' 88' ' ' LYS . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.02 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.02 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.02 110.91 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.422 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.02 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 13.3 t-160 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.02 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.92 179.902 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.02 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.02 111.089 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.34 -163.75 11.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.02 112.428 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -59.91 125.7 24.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.02 110.917 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.76 -76.27 0.27 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.02 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 64.17 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.02 110.925 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -157.55 -54.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.02 110.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -83.48 80.05 9.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -49.89 154.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.02 111.21 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.165 179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 2.6 p-10 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.834 179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.02 111.13 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.02 111.259 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.02 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.02 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.409 ' HA ' ' HG2' ' A' ' 112' ' ' MET . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.02 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.02 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.02 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.409 ' HG2' ' HA ' ' A' ' 109' ' ' LYS . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.02 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.02 111.052 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.02 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.02 110.586 179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.02 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.02 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.172 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.02 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.02 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.02 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.417 ' HB2' ' CG ' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.02 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -80.47 -170.53 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.02 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -73.07 -66.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.927 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.65 -124.09 5.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.02 112.555 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 89.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.02 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.429 -1.206 . . . . 0.02 112.449 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.867 0.365 . . . . 0.02 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -129.31 123.88 32.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.1 ptm -105.4 -29.0 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.966 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.228 -179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.02 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.762 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.914 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 7' ' ' HIS . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.02 110.906 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.02 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CZ3' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.02 110.895 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.02 111.097 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' NE2' ' CZ3' ' A' ' 12' ' ' TRP . 5.2 mt-30 -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.02 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.421 ' HA ' ' CZ ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.02 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.02 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.02 110.967 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.02 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.02 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.505 ' CG2' ' N ' ' A' ' 26' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.02 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.505 ' N ' ' CG2' ' A' ' 25' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.02 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.13 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.455 ' CG1' ' CD1' ' A' ' 84' ' ' PHE . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.02 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.857 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.408 ' CE2' ' OG1' ' A' ' 80' ' ' THR . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.02 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.02 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.02 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.02 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.02 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.02 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.949 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.02 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.02 111.006 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.906 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.02 111.137 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.02 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.02 110.827 179.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.409 ' HA ' HG13 ' A' ' 48' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.02 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.02 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.02 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.409 HG13 ' HA ' ' A' ' 45' ' ' LEU . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.02 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.199 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.02 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.02 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.02 111.574 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.02 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.02 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.02 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.469 ' HA ' ' O ' ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.02 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.02 111.458 -179.517 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CD2' ' A' ' 59' ' ' TYR . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.02 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.421 ' CZ ' ' HA ' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.02 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 ' CD2' ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.02 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.02 111.044 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.02 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.02 111.17 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.02 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.043 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -76.19 58.83 5.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.02 112.37 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -90.03 170.56 10.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.942 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.96 -33.35 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.826 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 29.99 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.02 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt 62.39 -80.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.02 110.981 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.1 mmt -130.39 -45.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.365 . . . . 0.02 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -165.23 35.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.02 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 6.5 tt0 -47.96 -33.34 7.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.293 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.9 pp -81.2 136.56 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.96 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 39.7 p90 -176.7 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.02 110.922 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.12 147.57 61.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.02 110.913 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.02 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.02 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.02 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.02 110.739 179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.02 111.409 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CG ' ' HB ' ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.02 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.43 ' CE1' ' HB2' ' A' ' 86' ' ' ARG . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.02 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . 0.43 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.02 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.02 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.02 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.95 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.465 HG21 HD12 ' A' ' 92' ' ' ILE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.037 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.963 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -114.06 172.71 14.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 9.9 t -72.54 125.67 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.02 110.887 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.17 157.78 8.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.02 112.528 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -74.78 -68.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.02 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.44 -169.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.02 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.47 61.6 3.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.02 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -49.97 -30.03 9.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.02 111.363 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.02 111.198 -179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.916 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.02 111.375 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.02 111.087 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.02 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.02 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.02 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.475 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.02 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.02 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.02 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.673 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.856 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.02 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.376 179.598 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.02 110.895 -179.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.02 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.02 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.02 110.906 179.795 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.02 111.069 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.02 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.02 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.02 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -88.48 169.68 11.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.02 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -157.77 126.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.74 -30.54 1.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.02 112.533 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 60.7 178.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.02 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.36 -1.245 . . . . 0.02 112.507 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.02 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -85.78 141.2 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.02 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.426 ' HG2' ' CD2' ' A' ' 46' ' ' TYR . 16.4 ptp -106.84 -38.54 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.888 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.02 111.192 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.02 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.02 111.046 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.792 179.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.02 110.926 -179.881 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.02 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.02 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.02 110.82 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.02 110.961 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.02 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.02 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.996 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.02 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.02 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.02 111.459 -179.933 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.02 111.661 -179.497 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.02 110.897 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.428 ' CG2' ' CE2' ' A' ' 83' ' ' PHE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.02 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.408 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.892 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.02 110.875 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.02 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.02 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.02 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.02 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.02 110.908 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.02 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.02 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.435 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.422 179.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.02 111.463 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.435 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.02 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.438 ' CG1' HG21 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.02 111.124 179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.426 ' CD2' ' HG2' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.02 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.02 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.438 HG21 ' CG1' ' A' ' 44' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.02 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.136 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.02 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.02 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.02 111.577 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.02 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.02 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.02 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.02 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.444 ' CG2' ' CE2' ' A' ' 59' ' ' TYR . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.02 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.42 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.02 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.444 ' CE2' ' CG2' ' A' ' 57' ' ' VAL . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.02 110.805 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.408 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.02 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.916 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.02 111.209 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.02 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.02 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.112 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -70.17 110.25 2.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.02 112.265 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -174.06 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.02 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . 0.419 ' CD1' ' HE2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -60.68 -34.3 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.895 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.43 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.925 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . 0.419 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.3 mttm 64.06 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.02 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mtt -120.04 -67.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -149.46 29.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.96 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.04 -32.4 9.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.263 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.3 pp -70.76 65.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.02 110.974 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 69.3 t80 -164.44 30.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -90.06 147.9 38.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.02 110.948 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.02 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.02 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.02 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' CG2' HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.02 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.02 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.428 ' CE2' ' CG2' ' A' ' 27' ' ' VAL . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.946 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.02 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.02 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.02 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.02 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.02 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.02 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.416 HG23 ' CD1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.02 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.02 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.402 HD11 ' CG2' ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.02 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.17 -29.99 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.02 112.586 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m 63.51 124.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.02 110.901 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.93 -47.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.732 -0.747 . . . . 0.02 112.502 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -118.34 -71.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.02 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.62 -69.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.02 110.796 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -160.42 28.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.02 110.921 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -50.88 93.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.02 111.292 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.02 111.386 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.02 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.02 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.278 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.02 111.282 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.02 111.239 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.02 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.02 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.02 110.924 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.408 ' CG2' ' CD1' ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.02 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.02 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.499 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.02 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.499 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.02 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.43 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.02 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.02 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.423 HG12 ' CD2' ' A' ' 83' ' ' PHE . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.02 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.02 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.02 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.02 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -90.75 48.74 1.57 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.02 110.978 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? 46.25 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.293 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -178.0 106.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.674 -0.774 . . . . 0.02 112.511 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -154.77 -64.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.02 110.896 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.378 -1.235 . . . . 0.02 112.466 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.02 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -110.11 178.57 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm -147.99 -176.52 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.813 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.02 111.211 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.02 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.02 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.834 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.02 111.162 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.02 110.909 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.02 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.02 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.02 110.793 179.844 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.02 111.128 -179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.02 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.02 111.214 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.447 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.02 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.02 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.02 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.02 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.02 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.409 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.02 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.02 110.988 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.4 HG11 HG21 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.45 ' CG1' ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.02 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 HG13 ' CD1' ' A' ' 84' ' ' PHE . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.02 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.02 110.95 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.422 ' CE2' HG21 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.02 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.02 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.02 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.02 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.873 -179.907 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.02 110.841 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.02 110.789 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.02 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.02 111.012 179.854 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.02 111.387 -179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.02 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.02 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.02 111.279 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.02 111.258 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.02 111.201 -179.779 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.02 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.02 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.409 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.02 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.02 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.4 HG21 HG11 ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.02 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.02 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.46 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.02 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.02 111.118 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.02 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.422 HG21 ' CE2' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.02 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.02 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.483 ' HB ' ' HD3' ' A' ' 67' ' ' PRO . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.02 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.483 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo -81.6 129.35 6.43 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.02 112.436 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.99 155.61 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.02 110.871 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.48 30.42 19.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' ND2' ' CG ' ' A' ' 74' ' ' GLU . 4.5 m-20 -113.51 -17.79 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.02 111.331 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -50.37 107.12 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.02 111.246 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.2 ttt 59.2 61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.02 110.996 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.06 -64.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.02 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CG ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tp10 -53.56 -34.0 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.02 111.253 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.83 134.91 55.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.97 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -160.99 -59.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 151.18 44.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.02 110.951 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.02 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.02 110.961 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.979 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.447 ' CD2' ' CD1' ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.42 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.02 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.02 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.02 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.02 111.101 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.02 110.875 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.408 ' HB ' ' CD1' ' A' ' 83' ' ' PHE . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.02 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.02 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.841 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -103.95 -101.49 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.02 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 146.84 42.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.02 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.55 -102.13 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.02 112.507 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 60.88 165.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.02 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -100.17 32.15 3.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.02 110.885 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -136.38 173.47 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.02 110.871 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -49.91 154.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.02 111.261 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.02 111.084 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.02 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.02 111.323 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.02 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . 0.408 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.02 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.02 111.154 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.412 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.02 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.02 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . 0.408 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.02 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' MET . . . . . . . . . . . . . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.02 110.643 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.02 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.02 110.658 179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.02 111.252 -179.372 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.02 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.02 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.02 111.235 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.02 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.42 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.02 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -89.52 -178.4 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.914 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.7 -31.08 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.893 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.18 160.38 12.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.02 112.403 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -132.3 141.86 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.02 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.338 -1.257 . . . . 0.02 112.58 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.836 0.351 . . . . 0.02 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -176.22 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.925 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' MET . . . . . 0.416 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? -69.69 -68.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.02 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.02 111.212 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.02 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.02 110.649 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.8 m-70 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.02 111.117 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.02 110.882 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.02 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.02 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.02 110.663 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.867 179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.02 110.642 179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.02 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.935 179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.409 HG12 ' CD2' ' A' ' 84' ' ' PHE . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.02 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.02 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.02 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.02 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.02 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.02 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.42 ' HD2' ' CE2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.02 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.02 111.342 -179.409 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.02 111.09 179.656 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.02 111.372 -179.575 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.414 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.02 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.02 111.006 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.02 110.893 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.02 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.02 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.02 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.02 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.02 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.02 111.031 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.02 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.02 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.02 110.949 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.02 111.047 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.02 111.407 -179.709 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.02 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.42 ' CG1' HG21 ' A' ' 48' ' ' ILE . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.02 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.02 111.34 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . 0.416 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.02 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.02 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.02 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.02 111.228 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.02 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.02 111.204 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.02 111.414 -179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.02 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.02 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.02 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.02 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.795 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.02 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.442 ' CD2' ' HB2' ' A' ' 6' ' ' PRO . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.02 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.413 ' HB2' ' CE1' ' A' ' 7' ' ' HIS . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.02 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.407 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.02 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.87 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.02 111.263 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.02 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.02 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.02 110.929 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.32 86.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.02 112.341 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.12 112.63 24.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.87 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.27 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.02 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -178.72 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.02 110.933 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 48.83 71.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.02 111.118 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 62.99 -79.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.832 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -147.69 21.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.02 111.136 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.32 -28.27 11.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.02 111.402 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.96 49.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.02 111.103 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 66.3 t80 -156.58 25.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.02 111.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.13 136.93 28.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.02 110.847 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.02 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.02 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.02 111.079 179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.02 110.783 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.436 ' CE1' ' HB ' ' A' ' 92' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.02 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.419 ' CD1' ' HA ' ' A' ' 89' ' ' HIS . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.02 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.02 110.927 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.02 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.02 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.419 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 5.1 t60 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.416 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.02 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.436 ' HB ' ' CE1' ' A' ' 83' ' ' PHE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.02 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.02 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.754 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.77 63.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.02 112.516 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 5.6 m 61.64 153.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.02 110.892 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.95 -157.65 29.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.02 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -94.59 -76.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.02 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 -53.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.02 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -141.64 17.4 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.02 111.202 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -52.35 -25.44 9.71 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.02 111.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.02 111.265 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.02 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.02 110.85 -179.865 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.02 111.278 179.883 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.02 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.02 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.02 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.46 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.02 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.02 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.02 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.427 ' O ' HG22 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.02 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.02 111.147 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.02 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.465 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.02 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.465 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.02 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.02 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.02 111.193 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.42 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.02 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.02 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.02 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.02 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.04 83.37 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.02 110.777 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 60.73 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.02 110.871 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.9 -134.94 12.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.02 112.518 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 60.67 106.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.02 110.91 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.382 -1.232 . . . . 0.02 112.445 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.823 0.344 . . . . 0.02 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -157.18 -62.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.02 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp 60.19 167.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.02 110.92 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.02 111.177 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.425 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.02 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.02 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.02 110.853 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.02 110.982 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.867 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.02 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.02 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.02 111.147 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.961 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.02 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.02 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.156 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.02 110.984 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.02 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.02 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.02 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.02 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.02 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . 0.509 ' CG2' ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.02 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 ' H ' ' CG2' ' A' ' 25' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.02 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.422 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 ' CG2' ' CG2' ' A' ' 61' ' ' VAL . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.02 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.402 ' NH2' ' CG2' ' A' ' 37' ' ' THR . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.02 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.02 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.02 111.018 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.02 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.402 ' CG2' ' NH2' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.02 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.02 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.02 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.02 110.819 179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.02 111.121 -179.812 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.02 111.073 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.02 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . 0.407 ' CB ' ' HB2' ' A' ' 108' ' ' ASP . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.02 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.02 111.303 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.02 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.02 111.23 -179.596 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.02 111.259 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.02 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.02 111.103 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.02 111.444 -179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.02 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.02 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.02 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.02 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.02 110.908 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.02 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.02 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.02 110.909 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.409 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.02 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.02 111.215 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.02 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.02 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . 0.477 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.02 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo -49.35 121.58 7.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.02 112.389 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.74 -31.79 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.893 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -169.43 95.55 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.02 110.893 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 27.4 p-10 -98.53 32.07 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.02 110.927 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.9 mttt 63.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.959 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 mtt -126.95 -59.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.02 110.936 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.422 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 13.4 p90 -161.7 30.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.02 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.61 -34.42 11.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 0.02 111.251 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -90.08 68.15 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.02 110.881 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . 0.422 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 4.1 m-85 -136.42 30.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.02 110.897 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.91 164.56 36.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.02 110.794 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.02 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.02 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.02 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.02 111.505 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.02 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.422 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.02 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.02 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.02 110.81 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.02 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.02 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . 0.501 ' CD2' ' CE2' ' A' ' 84' ' ' PHE . 4.2 m80 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.02 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.02 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.02 111.181 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.02 110.851 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.866 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -90.94 170.38 34.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.02 112.456 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -161.68 120.1 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.02 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -141.08 48.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.02 112.533 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.02 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -162.0 149.01 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.02 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -61.82 -74.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.886 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -49.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.02 111.246 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.02 111.1 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.791 179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.02 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.02 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.02 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.02 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.465 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.02 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.02 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.02 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.409 ' O ' HG21 ' A' ' 115' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.02 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.02 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.02 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.02 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.471 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.02 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.02 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . 0.41 HG12 ' CD2' ' A' ' 83' ' ' PHE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.02 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.02 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.02 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.02 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -98.08 -46.35 5.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.02 110.949 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.02 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 135.95 44.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.02 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -78.81 -73.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.02 110.858 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.338 -1.256 . . . . 0.02 112.525 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.779 0.323 . . . . 0.02 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -104.52 -37.94 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.02 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -79.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.02 111.173 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.02 111.254 -179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.02 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.02 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.824 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.02 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.02 111.031 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.02 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.02 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.908 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.168 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.02 110.929 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.02 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.02 111.16 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.02 111.165 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.02 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.02 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.02 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.02 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.02 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.02 110.987 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.02 111.311 179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.418 HG22 ' CE2' ' A' ' 83' ' ' PHE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.02 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.02 111.254 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.02 110.941 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.02 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLY . . . . . 0.448 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.02 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.02 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.02 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.02 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.02 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.02 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' THR . . . . . 0.441 HG22 ' CB ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.02 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.02 110.897 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.02 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.417 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.02 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.02 110.496 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.02 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.02 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' VAL . . . . . . . . . . . . . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.02 110.904 179.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.02 111.197 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.02 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.02 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.02 112.214 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.02 111.483 -179.555 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.02 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.02 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.02 111.917 -179.705 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.02 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.02 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.402 ' CZ ' ' OH ' ' A' ' 120' ' ' TYR . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.02 111.163 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.02 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.02 111.049 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.464 ' O ' ' CG ' ' A' ' 59' ' ' TYR . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.02 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.02 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.02 110.597 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.02 111.317 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.02 110.8 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.02 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.02 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.02 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.02 111.039 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 60.7 Cg_endo -72.62 61.85 3.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.02 112.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.88 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.02 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -55.9 -45.89 78.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.02 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 64.49 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.02 111.024 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.02 110.731 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 73' ' ' TYR . 3.0 ttt -90.41 51.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.02 110.865 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' MET . 59.2 m-85 -157.03 -60.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.02 110.944 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -51.64 -33.72 34.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.02 111.293 -179.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.46 154.65 35.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.02 110.958 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.8 18.34 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.02 111.265 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -90.23 130.94 40.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.02 110.769 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.02 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' CYS . . . . . 0.448 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.02 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.02 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.02 111.767 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.02 110.591 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' PHE . . . . . 0.443 ' CG ' ' CD1' ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.02 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PHE . . . . . 0.406 ' CD2' ' O ' ' A' ' 88' ' ' LYS . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.02 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.02 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.02 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.02 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.02 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 12.8 m80 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.02 110.956 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.02 111.102 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.02 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ILE . . . . . 0.443 ' CD1' ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.02 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.02 110.963 -179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.02 110.935 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -127.63 -85.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.02 112.502 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.86 -68.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.02 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.26 -102.6 2.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.02 112.469 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -176.41 -65.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.02 110.936 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.06 31.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.02 110.866 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -160.04 -177.73 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.02 110.862 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -49.87 146.91 4.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.02 111.285 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.02 111.14 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ASN . . . . . 0.415 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.02 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.02 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' CB ' HG22 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.02 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.02 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.02 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.02 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LYS . . . . . 0.435 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.02 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.02 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.02 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' MET . . . . . 0.413 ' O ' HG23 ' A' ' 115' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.02 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' VAL . . . . . . . . . . . . . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.02 111.05 179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.02 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.02 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ILE . . . . . 0.464 ' N ' ' CG2' ' A' ' 115' ' ' ILE . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.02 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.02 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.02 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.02 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' TYR . . . . . 0.402 ' OH ' ' CZ ' ' A' ' 55' ' ' PHE . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.02 110.899 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.02 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.02 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ALA . . . . . 0.407 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.02 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -99.75 -53.61 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.02 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -52.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.02 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.91 -159.13 31.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.02 112.5 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -160.5 106.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.02 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.39 -1.228 . . . . 0.02 112.546 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 45' ' ' LEU . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.0 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 13' ' ' GLN . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.431 ' CG ' ' HG3' ' A' ' 65' ' ' GLU . 47.6 m-70 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 10' ' ' ASN . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 19' ' ' LEU . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.838 ' HG3' HG22 ' A' ' 81' ' ' VAL . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 105' ' ' ALA . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 94' ' ' LEU . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 112' ' ' MET . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.285 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CD1' HG12 ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.0 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' LEU . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.861 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.827 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG3' ' CG ' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 62' ' ' ASP . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.0 112.42 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.627 0.251 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.838 HG22 ' HG3' ' A' ' 29' ' ' ARG . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB2' HG13 ' A' ' 26' ' ' VAL . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' HB2' HG23 ' A' ' 25' ' ' VAL . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.653 HD13 HG13 ' A' ' 119' ' ' VAL . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.748 ' CD1' HG21 ' A' ' 81' ' ' VAL . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.356 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.833 0.349 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.447 HD12 ' OE1' ' A' ' 107' ' ' GLU . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' HG21 ' A' ' 37' ' ' THR . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 102' ' ' ILE . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 44' ' ' VAL . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.838 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.837 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.838 HD12 ' C ' ' A' ' 112' ' ' MET . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 115' ' ' ILE . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.33 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.56 ' CZ ' HG23 ' A' ' 116' ' ' ILE . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 8' ' ' LEU . 16.0 p80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 14' ' ' VAL . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 10' ' ' ASN . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.792 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.098 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 57' ' ' VAL . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 28' ' ' ILE . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.838 ' CG ' HG22 ' A' ' 81' ' ' VAL . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' HA2' HG22 ' A' ' 63' ' ' ILE . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.0 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 103' ' ' ASN . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.781 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.0 110.679 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 48' ' ' ILE . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 41' ' ' MET . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.732 HD13 HD13 ' A' ' 116' ' ' ILE . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.067 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 ' HE3' ' A' ' 51' ' ' LYS . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.407 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.972 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 26' ' ' VAL . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 45' ' ' LEU . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.591 ' CG ' HD13 ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' HE ' ' A' ' 29' ' ' ARG . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.426 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' HA2' ' A' ' 31' ' ' GLY . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.458 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.0 112.276 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.661 0.267 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.974 HG21 HD11 ' A' ' 94' ' ' LEU . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.48 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' A' ' 25' ' ' VAL . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 HG13 ' A' ' 92' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.974 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.442 ' O ' ' HE1' ' A' ' 41' ' ' MET . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.682 ' O ' HG21 ' A' ' 37' ' ' THR . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.369 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' MET . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.728 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.753 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.226 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 115' ' ' ILE . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.8 HG23 ' CE1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.972 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.0 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.625 ' CE1' HD12 ' A' ' 60' ' ' LEU . 49.4 m-70 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.066 HD12 HG22 ' A' ' 61' ' ' VAL . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.86 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 10' ' ' ASN . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 57' ' ' VAL . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.72 ' NH2' HD13 ' A' ' 60' ' ' LEU . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.722 ' HB3' HD11 ' A' ' 63' ' ' ILE . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' N ' ' A' ' 105' ' ' ALA . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HE1' HG22 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.84 HG13 ' HA ' ' A' ' 109' ' ' LYS . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.36 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.814 HG12 HG12 ' A' ' 44' ' ' VAL . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.304 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.71 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.0 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.973 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 26' ' ' VAL . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.629 HD13 ' CD2' ' A' ' 45' ' ' LEU . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.72 HD13 ' NH2' ' A' ' 29' ' ' ARG . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 1.066 HG22 HD12 ' A' ' 8' ' ' LEU . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 ' HB3' ' A' ' 30' ' ' PHE . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 62' ' ' ASP . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.638 0.256 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.0 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 94' ' ' LEU . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.705 ' HA ' HD12 ' A' ' 18' ' ' ILE . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.844 ' O ' HD13 ' A' ' 90' ' ' ILE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.844 HD13 ' O ' ' A' ' 89' ' ' HIS . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.629 ' O ' HD13 ' A' ' 102' ' ' ILE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.576 ' HA ' HG21 ' A' ' 102' ' ' ILE . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD22 ' HE2' ' A' ' 112' ' ' MET . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.821 0.343 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 92' ' ' ILE . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.507 ' O ' HG21 ' A' ' 37' ' ' THR . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 37' ' ' THR . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.302 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.541 ' C ' HG22 ' A' ' 44' ' ' VAL . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.84 ' HA ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.822 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 48' ' ' ILE . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 61' ' ' VAL . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 14' ' ' VAL . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 18' ' ' ILE . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 15' ' ' ASP . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.035 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 57' ' ' VAL . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 28' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.017 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 63' ' ' ILE . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.785 HG23 ' HB2' ' A' ' 105' ' ' ALA . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.578 ' HE2' ' HB1' ' A' ' 105' ' ' ALA . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 94' ' ' LEU . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.262 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.992 HD11 HG22 ' A' ' 113' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.0 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.617 ' HB3' ' CD2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.719 HD12 HD21 ' A' ' 94' ' ' LEU . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 8' ' ' LEU . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.202 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.843 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' ASN . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo . . . . . 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.321 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.0 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.6 HG11 ' HG ' ' A' ' 94' ' ' LEU . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 111.265 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 91' ' ' MET . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.594 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.794 ' CD1' HD13 ' A' ' 28' ' ' ILE . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.797 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 89' ' ' HIS . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.676 ' C ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.676 HD12 ' C ' ' A' ' 91' ' ' MET . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.719 HD21 HD12 ' A' ' 58' ' ' ILE . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 93' ' ' ASP . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.66 ' O ' HG21 ' A' ' 37' ' ' THR . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.785 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.281 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.782 ' O ' HD12 ' A' ' 116' ' ' ILE . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.992 HG22 HD11 ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 112' ' ' MET . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 115' ' ' ILE . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.394 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.617 ' CD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 42' ' ' ASP . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' ND2' ' A' ' 87' ' ' ASN . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 84' ' ' PHE . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' CB ' ' A' ' 105' ' ' ALA . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.866 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD1' HD21 ' A' ' 5' ' ' LEU . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG23 ' HG2' ' A' ' 109' ' ' LYS . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 45' ' ' LEU . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.3 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 116' ' ' ILE . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.0 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 45' ' ' LEU . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.738 ' HB3' HD23 ' A' ' 8' ' ' LEU . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 29' ' ' ARG . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.72 ' O ' HG12 ' A' ' 66' ' ' VAL . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 63' ' ' ILE . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.0 112.235 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.0 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 80' ' ' THR . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' HD23 ' A' ' 94' ' ' LEU . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.786 ' HB2' HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.463 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' HD12 ' A' ' 19' ' ' LEU . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.438 ' N ' HD13 ' A' ' 90' ' ' ILE . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.461 ' HB3' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.866 HD22 ' CG ' ' A' ' 41' ' ' MET . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 93' ' ' ASP . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.666 ' O ' HG21 ' A' ' 37' ' ' THR . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.299 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.636 ' HG2' HG23 ' A' ' 44' ' ' VAL . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.689 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 109' ' ' LYS . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.929 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.0 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.0 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.824 ' HB3' HG22 ' A' ' 14' ' ' VAL . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.787 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.438 ' HA ' HG11 ' A' ' 26' ' ' VAL . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' ' 25' ' ' VAL . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG23 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.0 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 57' ' ' VAL . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.022 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.759 ' HB ' HG23 ' A' ' 58' ' ' ILE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.75 ' HD2' HG22 ' A' ' 81' ' ' VAL . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.0 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 105' ' ' ALA . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 105' ' ' ALA . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.834 ' HG3' HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.645 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 48' ' ' ILE . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.801 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 58' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 44' ' ' VAL . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.769 HG11 ' CG2' ' A' ' 116' ' ' ILE . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.789 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.0 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.799 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.168 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 HD23 ' A' ' 45' ' ' LEU . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 60' ' ' LEU . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 59' ' ' TYR . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.279 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.612 0.244 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 ' HD2' ' A' ' 29' ' ' ARG . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.497 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.769 HG22 HG12 ' A' ' 92' ' ' ILE . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.693 ' O ' HD13 ' A' ' 92' ' ' ILE . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 90' ' ' ILE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD11 ' HG3' ' A' ' 41' ' ' MET . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.0 111.325 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 113' ' ' VAL . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.694 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 109' ' ' LYS . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.626 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.769 ' CG2' HG11 ' A' ' 52' ' ' VAL . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.16 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 25' ' ' VAL . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.0 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 60' ' ' LEU . 9.8 t-80 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 14' ' ' VAL . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.808 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.6 m120 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' OD1' ' A' ' 87' ' ' ASN . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.816 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.401 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.744 HG22 ' CE2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.628 HG21 ' O ' ' A' ' 103' ' ' ASN . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 94' ' ' LEU . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 5' ' ' LEU . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.87 HG12 HG12 ' A' ' 48' ' ' ILE . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.824 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.051 HD11 HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.87 HG12 HG12 ' A' ' 44' ' ' VAL . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 55' ' ' PHE . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.334 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 52' ' ' VAL . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.816 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.636 HG13 HG23 ' A' ' 26' ' ' VAL . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 1.051 HD13 HD11 ' A' ' 45' ' ' LEU . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' C ' HD22 ' A' ' 60' ' ' LEU . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 29' ' ' ARG . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.547 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 9' ' ' HIS . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo . . . . . 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.613 0.244 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.0 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.574 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.913 HG11 ' HG ' ' A' ' 94' ' ' LEU . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.248 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 27' ' ' VAL . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' PHE . 3.9 m120 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 90' ' ' ILE . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.73 HG23 ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.509 ' HA ' HG13 ' A' ' 81' ' ' VAL . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.913 ' HG ' HG11 ' A' ' 81' ' ' VAL . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.797 ' C ' HD11 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.797 HD11 ' C ' ' A' ' 95' ' ' GLY . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' HG21 ' A' ' 37' ' ' THR . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.234 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' H ' HG11 ' A' ' 44' ' ' VAL . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.774 ' SD ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.359 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.801 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 115' ' ' ILE . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 45' ' ' LEU . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.587 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG22 HD23 ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' HD22 ' A' ' 19' ' ' LEU . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 59' ' ' TYR . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.272 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.71 HD12 ' CG ' ' A' ' 87' ' ' ASN . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HE ' HG23 ' A' ' 25' ' ' VAL . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 57' ' ' VAL . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.765 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' NH2' HD11 ' A' ' 60' ' ' LEU . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HB2' HG23 ' A' ' 80' ' ' THR . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.0 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 105' ' ' ALA . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.799 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.618 ' OD1' HD13 ' A' ' 5' ' ' LEU . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 48' ' ' ILE . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.916 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG12 HG22 ' A' ' 44' ' ' VAL . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.439 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 26' ' ' VAL . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HE1' ' A' ' 41' ' ' MET . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 8' ' ' LEU . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG22 HD22 ' A' ' 8' ' ' LEU . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 62' ' ' ASP . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 95.3 Cg_exo . . . . . 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.0 112.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.657 0.265 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.0 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 30' ' ' PHE . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.729 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 HD22 ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 28' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.577 ' CE1' HG13 ' A' ' 25' ' ' VAL . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 19' ' ' LEU . 2.7 t30 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 HD11 ' A' ' 92' ' ' ILE . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' CB ' HD11 ' A' ' 102' ' ' ILE . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.798 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.778 0.323 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 93' ' ' ASP . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 37' ' ' THR . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.447 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.0 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.65 ' C ' HG21 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.222 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.579 ' HG2' HG23 ' A' ' 44' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.0 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 94' ' ' LEU . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 48' ' ' ILE . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.0 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 112' ' ' MET . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 112' ' ' MET . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 45' ' ' LEU . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.0 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 56.7 p-80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.806 HD13 ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TRP . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 10' ' ' ASN . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' TRP . 30.0 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HA ' HG11 ' A' ' 26' ' ' VAL . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE1' HG21 ' A' ' 57' ' ' VAL . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 111.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.135 HG13 HG23 ' A' ' 57' ' ' VAL . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.78 ' C ' HD13 ' A' ' 28' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.0 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.825 HG23 ' CB ' ' A' ' 105' ' ' ALA . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 94' ' ' LEU . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.74 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.0 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.761 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 120' ' ' TYR . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.434 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HD3' HD21 ' A' ' 5' ' ' LEU . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.339 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.135 HG23 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.155 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.751 HG23 ' HB ' ' A' ' 27' ' ' VAL . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.806 ' CD2' HD13 ' A' ' 8' ' ' LEU . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo . . . . . 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.0 112.473 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.718 0.294 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.605 HG12 ' HB ' ' A' ' 102' ' ' ILE . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 81' ' ' VAL . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD2' HD12 ' A' ' 92' ' ' ILE . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' ILE . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.707 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 89' ' ' HIS . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.989 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.589 HD13 ' CG2' ' A' ' 119' ' ' VAL . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 102' ' ' ILE . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD22 ' HE3' ' A' ' 112' ' ' MET . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.605 ' HB ' HG12 ' A' ' 81' ' ' VAL . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.021 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' HG21 ' A' ' 37' ' ' THR . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.825 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.703 ' HD2' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 109' ' ' LYS . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.0 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.589 ' CG2' HD13 ' A' ' 92' ' ' ILE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.492 ' CE2' HG11 ' A' ' 52' ' ' VAL . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.0 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.029 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 14' ' ' VAL . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 57' ' ' VAL . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 83' ' ' PHE . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.622 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.426 HH12 HD11 ' A' ' 45' ' ' LEU . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 63' ' ' ILE . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' O ' ' A' ' 103' ' ' ASN . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.0 110.786 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.691 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.839 HG21 ' HB2' ' A' ' 108' ' ' ASP . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' N ' HD12 ' A' ' 48' ' ' ILE . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 120' ' ' TYR . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.773 ' N ' HD13 ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.97 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.064 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 62' ' ' ASP . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.0 112.259 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.589 0.233 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 82' ' ' MET . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.362 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 81' ' ' VAL . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.75 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 90' ' ' ILE . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.622 ' HD1' HD13 ' A' ' 28' ' ' ILE . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.997 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 83' ' ' PHE . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 83' ' ' PHE . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.678 HD21 ' HG3' ' A' ' 41' ' ' MET . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.506 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 94' ' ' LEU . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.556 ' O ' HG21 ' A' ' 37' ' ' THR . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.05 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.839 ' HB2' HG21 ' A' ' 44' ' ' VAL . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.605 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.612 ' O ' HD12 ' A' ' 116' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 109' ' ' LYS . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.025 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.872 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 25' ' ' VAL . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.0 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 13' ' ' GLN . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 14' ' ' VAL . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' HB3' HD13 ' A' ' 8' ' ' LEU . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 87' ' ' ASN . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' CD2' HG23 ' A' ' 18' ' ' ILE . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HA ' HG21 ' A' ' 57' ' ' VAL . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' HG23 ' A' ' 25' ' ' VAL . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.342 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.847 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.0 111.498 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.859 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.526 ' SD ' HD13 ' A' ' 94' ' ' LEU . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.625 ' OD2' HD13 ' A' ' 5' ' ' LEU . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.924 HG21 ' CB ' ' A' ' 108' ' ' ASP . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 44' ' ' VAL . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 52' ' ' VAL . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HD2' HG13 ' A' ' 113' ' ' VAL . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 1.034 HG12 HG21 ' A' ' 116' ' ' ILE . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.0 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ILE . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo . . . . . 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.0 112.384 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.68 0.276 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.0 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.844 ' CG1' HD13 ' A' ' 102' ' ' ILE . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.716 ' HB2' HG13 ' A' ' 26' ' ' VAL . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.744 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 83' ' ' PHE . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.577 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.844 HD13 ' CG1' ' A' ' 81' ' ' VAL . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.71 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.924 ' CB ' HG21 ' A' ' 44' ' ' VAL . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.683 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.692 ' O ' HD12 ' A' ' 116' ' ' ILE . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 109' ' ' LYS . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 1.034 HG21 HG12 ' A' ' 52' ' ' VAL . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.143 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.334 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 45' ' ' LEU . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.0 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.803 HD12 HG22 ' A' ' 61' ' ' VAL . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.605 HG21 ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 19' ' ' LEU . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 ' HB2' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.0 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.876 HG13 ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 27' ' ' VAL . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.889 ' NH2' HD11 ' A' ' 94' ' ' LEU . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.0 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 105' ' ' ALA . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.737 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.622 ' SD ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.955 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.922 HG12 HG12 ' A' ' 48' ' ' ILE . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.258 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.922 HG12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.319 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HG3' HG22 ' A' ' 52' ' ' VAL . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.374 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 51' ' ' LYS . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.747 HG23 HG23 ' A' ' 26' ' ' VAL . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 45' ' ' LEU . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.803 HG22 HD12 ' A' ' 8' ' ' LEU . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 ' CD1' ' A' ' 30' ' ' PHE . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG23 ' A' ' 66' ' ' VAL . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.647 HG23 ' HG3' ' A' ' 65' ' ' GLU . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.184 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.556 0.217 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 82' ' ' MET . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.498 ' N ' HG12 ' A' ' 81' ' ' VAL . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.876 ' CE1' HG13 ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.753 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.583 ' HD2' HG13 ' A' ' 25' ' ' VAL . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 83' ' ' PHE . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.221 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.721 ' OD2' HD13 ' A' ' 102' ' ' ILE . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.658 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.889 HD11 ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.467 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.811 0.339 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.721 HD13 ' OD2' ' A' ' 93' ' ' ASP . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.648 ' O ' HG21 ' A' ' 37' ' ' THR . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.365 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB3' HG23 ' A' ' 37' ' ' THR . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.0 111.496 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.842 ' OD1' HG13 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 113' ' ' VAL . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.0 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.705 ' CG ' HG11 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 48' ' ' ILE . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.257 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 48' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 115' ' ' ILE . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 61' ' ' VAL . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.881 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.773 ' HA ' HD12 ' A' ' 18' ' ' ILE . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 15' ' ' ASP . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.037 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 57' ' ' VAL . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 28' ' ' ILE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 27' ' ' VAL . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 63' ' ' ILE . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.581 HG23 ' HB2' ' A' ' 105' ' ' ALA . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.474 ' HE2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.884 ' O ' HG22 ' A' ' 48' ' ' ILE . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 42' ' ' ASP . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.997 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.806 ' CE1' HD23 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.797 ' CG1' HG21 ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.983 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 26' ' ' VAL . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG11 ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HG22 ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 8' ' ' LEU . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 66' ' ' VAL . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 30' ' ' PHE . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 62' ' ' ASP . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.0 112.322 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.0 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.819 HG21 HD11 ' A' ' 94' ' ' LEU . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.441 ' N ' HG12 ' A' ' 81' ' ' VAL . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.0 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.639 ' CD1' HG23 ' A' ' 119' ' ' VAL . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.336 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.622 HD13 HD11 ' A' ' 115' ' ' ILE . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 81' ' ' VAL . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.572 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.811 0.339 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' HG21 ' A' ' 37' ' ' THR . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.209 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 44' ' ' VAL . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.41 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' N ' HG11 ' A' ' 44' ' ' VAL . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 111.153 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.848 ' O ' HD12 ' A' ' 116' ' ' ILE . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.622 HD11 HD13 ' A' ' 92' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.736 0.303 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.255 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD13 HG22 ' A' ' 14' ' ' VAL . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.892 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.035 HG22 HD13 ' A' ' 8' ' ' LEU . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 87' ' ' ASN . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 19' ' ' LEU . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 57' ' ' VAL . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.0 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 57' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE1' HG11 ' A' ' 61' ' ' VAL . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.0 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 103' ' ' ASN . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.573 ' CE ' HG22 ' A' ' 102' ' ' ILE . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.845 ' O ' HG22 ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 94' ' ' LEU . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.495 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' HB2' HD11 ' A' ' 5' ' ' LEU . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 58' ' ' ILE . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' HG12 ' A' ' 25' ' ' VAL . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.588 HD12 ' C ' ' A' ' 57' ' ' VAL . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.503 ' N ' HG22 ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.868 HG22 HD12 ' A' ' 8' ' ' LEU . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 63' ' ' ILE . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo . . . . . 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.0 112.423 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.648 0.261 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.0 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.716 HG21 ' CD1' ' A' ' 94' ' ' LEU . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.49 ' N ' HG12 ' A' ' 81' ' ' VAL . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.833 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.834 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.542 ' ND2' HD12 ' A' ' 19' ' ' LEU . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.3 OUTLIER 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.716 ' CD1' HG21 ' A' ' 81' ' ' VAL . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.428 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 6.8 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.573 HG22 ' CE ' ' A' ' 41' ' ' MET . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 37' ' ' THR . 3.9 p30 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.0 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.891 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.75 ' SD ' HG21 ' A' ' 48' ' ' ILE . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 109' ' ' LYS . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 110.586 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 115' ' ' ILE . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.818 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 5' ' ' LEU . 2.1 ptm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 42' ' ' ASP . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.0 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.92 HD11 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' VAL . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 10' ' ' ASN . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . 0.655 ' HB2' HG12 ' A' ' 57' ' ' VAL . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.887 HG11 HG12 ' A' ' 119' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 57' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.698 ' O ' HD13 ' A' ' 28' ' ' ILE . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.464 ' NE ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG23 ' A' ' 63' ' ' ILE . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.0 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 103' ' ' ASN . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.006 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' HG22 ' A' ' 37' ' ' THR . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' HA ' HD21 ' A' ' 5' ' ' LEU . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 HG12 ' A' ' 48' ' ' ILE . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD22 HD13 ' A' ' 58' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.799 HG12 HG12 ' A' ' 44' ' ' VAL . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG11 HG22 ' A' ' 116' ' ' ILE . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.574 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 26' ' ' VAL . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 111.458 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.604 HG23 ' HB ' ' A' ' 27' ' ' VAL . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.92 HG22 HD11 ' A' ' 8' ' ' LEU . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 30' ' ' PHE . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 9' ' ' HIS . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 66' ' ' VAL . 72.9 Cg_endo . . . . . 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.37 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.0 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 82' ' ' MET . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.739 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.428 ' N ' HG12 ' A' ' 81' ' ' VAL . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.409 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CD2' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.842 ' HB3' HD11 ' A' ' 90' ' ' ILE . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.842 HD11 ' HB3' ' A' ' 85' ' ' PHE . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.98 HD12 ' CD2' ' A' ' 83' ' ' PHE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.037 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.516 HD13 ' HE3' ' A' ' 112' ' ' MET . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA3' HD11 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.837 0.351 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.468 HD11 ' HA3' ' A' ' 95' ' ' GLY . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' HG21 ' A' ' 37' ' ' THR . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 111.087 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' LYS . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.895 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.887 HG12 HG11 ' A' ' 25' ' ' VAL . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.45 ' CD2' HG12 ' A' ' 52' ' ' VAL . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE3' ' CE2' ' A' ' 46' ' ' TYR . 16.4 ptp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 42' ' ' ASP . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.0 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 14' ' ' VAL . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' HD23 ' A' ' 8' ' ' LEU . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 84' ' ' PHE . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.0 111.661 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 57' ' ' VAL . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' A' ' 58' ' ' ILE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 27' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.861 ' CG ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' HD11 ' A' ' 63' ' ' ILE . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 105' ' ' ALA . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.744 ' SD ' HD22 ' A' ' 94' ' ' LEU . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.422 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 5' ' ' LEU . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.463 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.124 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.466 ' CE2' ' HE3' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.926 HD11 HG22 ' A' ' 113' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 49' ' ' ALA . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.577 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 26' ' ' VAL . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.716 HG23 ' HB ' ' A' ' 27' ' ' VAL . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.695 ' C ' HD22 ' A' ' 60' ' ' LEU . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 59' ' ' TYR . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 61' ' ' VAL . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 30' ' ' PHE . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 10' ' ' ASN . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 66' ' ' VAL . 55.9 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.0 112.265 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.654 0.264 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 92' ' ' ILE . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 18' ' ' ILE . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.586 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.811 0.338 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' VAL . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.0 111.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 37' ' ' THR . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.659 ' HA ' HG21 ' A' ' 44' ' ' VAL . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.282 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.239 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.857 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.926 HG22 HD11 ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.8 HG12 HG11 ' A' ' 25' ' ' VAL . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 14' ' ' VAL . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 66' ' ' VAL . 23.4 t-160 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 8' ' ' LEU . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' HB ' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.678 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HD2' HD22 ' A' ' 60' ' ' LEU . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 105' ' ' ALA . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.706 ' SD ' HD21 ' A' ' 94' ' ' LEU . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 109' ' ' LYS . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.012 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.387 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 116' ' ' ILE . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.201 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.779 HG23 ' HB ' ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.636 ' CB ' HG23 ' A' ' 27' ' ' VAL . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 8' ' ' LEU . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' HD2' ' A' ' 29' ' ' ARG . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 9' ' ' HIS . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.689 0.28 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 30' ' ' PHE . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.751 HG11 HD23 ' A' ' 94' ' ' LEU . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.612 ' CD2' HD12 ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 92' ' ' ILE . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' MET . . . . . 0.787 ' O ' HD13 ' A' ' 92' ' ' ILE . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 91' ' ' MET . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD23 HG11 ' A' ' 81' ' ' VAL . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.543 HD13 ' HB ' ' A' ' 81' ' ' VAL . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' H ' HG23 ' A' ' 37' ' ' THR . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.323 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.634 ' O ' HD12 ' A' ' 116' ' ' ILE . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.643 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' HE3' ' A' ' 51' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 119' ' ' VAL . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 48' ' ' ILE . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.252 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 115' ' ' ILE . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' MET . . . . . 0.414 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 60' ' ' LEU . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.0 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.72 ' O ' HG22 ' A' ' 66' ' ' VAL . 6.0 m80 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.836 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.775 ' HB3' HD23 ' A' ' 8' ' ' LEU . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 10' ' ' ASN . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 18' ' ' ILE . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 15' ' ' ASP . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.65 HG21 HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 111.342 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 57' ' ' VAL . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.09 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' A' ' 58' ' ' ILE . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.808 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.006 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 63' ' ' ILE . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.0 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.896 HG23 ' HB2' ' A' ' 105' ' ' ALA . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' HG2' ' A' ' 29' ' ' ARG . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' OD1' HD22 ' A' ' 5' ' ' LEU . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.407 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 40' ' ' LYS . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.34 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.836 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 111.228 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG3' HG13 ' A' ' 52' ' ' VAL . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.204 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 51' ' ' LYS . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.414 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 26' ' ' VAL . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.688 HG21 ' CD1' ' A' ' 45' ' ' LEU . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' ILE . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD13 ' A' ' 8' ' ' LEU . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 30' ' ' PHE . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.0 112.341 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.516 0.198 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' LEU . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.468 ' HA ' HG22 ' A' ' 92' ' ' ILE . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 90' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 28' ' ' ILE . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 25' ' ' VAL . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 21.3 t-80 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG13 HD11 ' A' ' 115' ' ' ILE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 115' ' ' ILE . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.734 0.302 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' A' ' 94' ' ' LEU . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.265 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 104' ' ' TRP . . . . . 0.426 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.278 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.632 ' HE2' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 48' ' ' ILE . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.591 ' CD1' HD12 ' A' ' 48' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 115' ' ' ILE . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.0 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 ' CG ' ' A' ' 42' ' ' ASP . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.712 HD22 HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.788 ' O ' HG22 ' A' ' 66' ' ' VAL . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.819 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 18' ' ' ILE . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 19' ' ' LEU . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 18' ' ' ILE . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.0 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 57' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.843 ' HB2' HG23 ' A' ' 81' ' ' VAL . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.43 HG22 ' CZ ' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.603 ' O ' HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.587 ' CE ' HD21 ' A' ' 60' ' ' LEU . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' CG ' HD23 ' A' ' 5' ' ' LEU . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 48' ' ' ILE . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 44' ' ' VAL . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.259 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 52' ' ' VAL . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' HG3' ' A' ' 51' ' ' LYS . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.444 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.878 HG23 HG13 ' A' ' 26' ' ' VAL . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 41' ' ' MET . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.0 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD21 ' CE ' ' A' ' 41' ' ' MET . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.707 HG13 HG21 ' A' ' 66' ' ' VAL . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 9' ' ' HIS . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.0 112.389 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.0 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD23 ' A' ' 94' ' ' LEU . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.505 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.433 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' VAL . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.752 ' O ' HD13 ' A' ' 90' ' ' ILE . 16.4 m-70 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 89' ' ' HIS . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.768 HG21 ' CG2' ' A' ' 119' ' ' VAL . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.181 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' CG ' HG13 ' A' ' 81' ' ' VAL . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.852 HD23 HG21 ' A' ' 81' ' ' VAL . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.546 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.546 HG21 ' HA3' ' A' ' 95' ' ' GLY . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' HG21 ' A' ' 37' ' ' THR . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' HG21 ' A' ' 44' ' ' VAL . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.77 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.0 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 92' ' ' ILE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.949 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.588 0.233 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.254 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.0 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.061 HD23 HG22 ' A' ' 14' ' ' VAL . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASN . . . . . 0.835 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 1.061 HG22 HD23 ' A' ' 8' ' ' LEU . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 18' ' ' ILE . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 15' ' ' ASP . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.987 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 57' ' ' VAL . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.311 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.695 ' O ' HD13 ' A' ' 28' ' ' ILE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.254 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' NH1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.618 ' SG ' HD12 ' A' ' 60' ' ' LEU . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.856 ' SD ' HD22 ' A' ' 94' ' ' LEU . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 110.496 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' VAL . . . . . 0.882 HG22 HG12 ' A' ' 48' ' ' ILE . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.904 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 58' ' ' ILE . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.197 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.882 HG12 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 111.483 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.0 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.958 HD13 HD11 ' A' ' 45' ' ' LEU . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.852 ' CD2' HD12 ' A' ' 5' ' ' LEU . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.995 HG22 HD22 ' A' ' 8' ' ' LEU . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 66' ' ' VAL . 60.7 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.0 112.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.493 0.187 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.0 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' CYS . . . . . 0.468 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 102' ' ' ILE . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.767 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 81' ' ' VAL . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 26' ' ' VAL . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' HIS . . . . . 0.611 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.6 m-70 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 89' ' ' HIS . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ILE . . . . . 0.993 HD11 ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ASP . . . . . 0.509 ' CG ' HD11 ' A' ' 102' ' ' ILE . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.856 HD22 ' SD ' ' A' ' 41' ' ' MET . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 94' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ILE . . . . . 0.652 HG21 ' HG ' ' A' ' 94' ' ' LEU . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . 0.628 ' H ' HG23 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LYS . . . . . 0.671 ' H ' HG21 ' A' ' 44' ' ' VAL . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' MET . . . . . 0.697 ' O ' HD12 ' A' ' 116' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 109' ' ' LYS . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.05 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.0 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.796 0.331 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.38 -175.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 45' ' ' LEU . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.0 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 13' ' ' GLN . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.431 ' CG ' ' HG3' ' A' ' 65' ' ' GLU . 47.6 m-70 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 10' ' ' ASN . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 19' ' ' LEU . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.838 ' HG3' HG22 ' A' ' 81' ' ' VAL . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 105' ' ' ALA . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 94' ' ' LEU . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 112' ' ' MET . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.285 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CD1' HG12 ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.0 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' LEU . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.861 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.827 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.589 ' HB ' HD21 ' A' ' 75' ' ' LEU . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.431 ' HG3' ' CG ' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 62' ' ' ASP . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 60.06 5.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.0 112.42 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.06 54.04 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 60.63 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -88.63 -33.82 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 tptt 67.95 -69.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -176.62 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -144.13 30.96 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -47.89 -31.75 5.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD21 ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -74.43 142.3 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 77' ' ' ASP . 37.3 p90 -177.15 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' CD1' ' A' ' 76' ' ' TYR . 9.1 t70 -85.87 142.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.838 HG22 ' HG3' ' A' ' 29' ' ' ARG . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB2' HG13 ' A' ' 26' ' ' VAL . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' HB2' HG23 ' A' ' 25' ' ' VAL . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.653 HD13 HG13 ' A' ' 119' ' ' VAL . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' CB ' HG23 ' A' ' 96' ' ' THR . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.748 ' CD1' HG21 ' A' ' 81' ' ' VAL . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.38 70.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.614 HG23 ' CB ' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -58.72 127.12 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.26 -27.72 10.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -139.74 -51.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -177.69 175.43 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.7 146.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.294 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.447 HD12 ' OE1' ' A' ' 107' ' ' GLU . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' HG21 ' A' ' 37' ' ' THR . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 102' ' ' ILE . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 44' ' ' VAL . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.838 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.837 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.838 HD12 ' C ' ' A' ' 112' ' ' MET . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 115' ' ' ILE . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.33 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.56 ' CZ ' HG23 ' A' ' 116' ' ' ILE . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -96.59 -42.47 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 60.98 80.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -174.31 -124.02 0.77 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -166.22 32.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.364 -1.242 . . . . 0.02 112.492 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.775 0.321 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -105.94 -66.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.35 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 8' ' ' LEU . 16.0 p80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 14' ' ' VAL . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 10' ' ' ASN . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.792 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.098 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 57' ' ' VAL . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 28' ' ' ILE . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.838 ' CG ' HG22 ' A' ' 81' ' ' VAL . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' HA2' HG22 ' A' ' 63' ' ' ILE . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 53.7 m-70 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.0 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 103' ' ' ASN . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.781 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.0 110.679 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 48' ' ' ILE . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 41' ' ' MET . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.732 HD13 HD13 ' A' ' 116' ' ' ILE . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.067 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 ' HE3' ' A' ' 51' ' ' LYS . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.407 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.972 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 26' ' ' VAL . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 45' ' ' LEU . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.591 ' CG ' HD13 ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' HE ' ' A' ' 29' ' ' ARG . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.426 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' HA2' ' A' ' 31' ' ' GLY . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.458 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.21 83.37 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.0 112.276 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.73 -31.89 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 71' ' ' LYS . 1.8 t80 -155.68 -56.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 -79.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER 68.35 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 tpt -157.12 -46.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -156.4 36.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.71 -33.2 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -71.91 125.15 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 -66.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.39 141.49 91.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.974 HG21 HD11 ' A' ' 94' ' ' LEU . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.48 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' A' ' 25' ' ' VAL . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 HG13 ' A' ' 92' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.16 112.22 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.548 ' OG1' HD11 ' A' ' 102' ' ' ILE . 69.6 m -163.97 -62.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.89 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -176.61 166.92 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -62.48 102.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.2 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 141.52 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' A' ' 96' ' ' THR . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.682 ' O ' HG21 ' A' ' 37' ' ' THR . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.369 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' MET . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.728 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.753 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.226 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 115' ' ' ILE . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.8 HG23 ' CE1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.972 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -95.31 -29.93 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.3 tttm 62.45 117.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.08 101.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 60.72 80.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.414 -1.215 . . . . 0.02 112.554 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -109.58 -63.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm 61.06 156.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.0 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.625 ' CE1' HD12 ' A' ' 60' ' ' LEU . 49.4 m-70 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.066 HD12 HG22 ' A' ' 61' ' ' VAL . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.86 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 10' ' ' ASN . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 57' ' ' VAL . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.72 ' NH2' HD13 ' A' ' 60' ' ' LEU . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.722 ' HB3' HD11 ' A' ' 63' ' ' ILE . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' N ' ' A' ' 105' ' ' ALA . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HE1' HG22 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.84 HG13 ' HA ' ' A' ' 109' ' ' LYS . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.36 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.814 HG12 HG12 ' A' ' 44' ' ' VAL . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.304 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.71 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.0 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.973 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 26' ' ' VAL . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.629 HD13 ' CD2' ' A' ' 45' ' ' LEU . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.72 HD13 ' NH2' ' A' ' 29' ' ' ARG . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 1.066 HG22 HD12 ' A' ' 8' ' ' LEU . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 ' HB3' ' A' ' 30' ' ' PHE . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' CD1' ' A' ' 75' ' ' LEU . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 62' ' ' ASP . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.89 79.92 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -76.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -103.05 26.85 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.53 179.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.732 ' HG3' HD13 ' A' ' 75' ' ' LEU . 1.3 mptp? -59.31 -17.56 30.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mtt -45.72 -80.55 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.556 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.57 -27.78 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 63' ' ' ILE . 7.8 tp10 -56.39 -67.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 0.0 111.246 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 71' ' ' LYS . 1.6 tt -68.86 156.97 37.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 75' ' ' LEU . 3.5 t80 63.54 30.75 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 141.46 27.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.0 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 94' ' ' LEU . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.705 ' HA ' HD12 ' A' ' 18' ' ' ILE . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.844 ' O ' HD13 ' A' ' 90' ' ' ILE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.844 HD13 ' O ' ' A' ' 89' ' ' HIS . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.629 ' O ' HD13 ' A' ' 102' ' ' ILE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.576 ' HA ' HG21 ' A' ' 102' ' ' ILE . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD22 ' HE2' ' A' ' 112' ' ' MET . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.52 -80.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -140.64 153.07 45.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.74 100.28 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -82.9 -31.8 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -107.02 160.35 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.47 133.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.92 147.77 3.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 92' ' ' ILE . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.507 ' O ' HG21 ' A' ' 37' ' ' THR . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 37' ' ' THR . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.302 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.541 ' C ' HG22 ' A' ' 44' ' ' VAL . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.84 ' HA ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.822 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 48' ' ' ILE . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -31.18 41.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 117.89 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -103.34 -169.99 25.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 60.63 111.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.476 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -87.05 -69.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.01 -70.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 61' ' ' VAL . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 14' ' ' VAL . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 18' ' ' ILE . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 15' ' ' ASP . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.035 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 57' ' ' VAL . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 28' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.017 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 63' ' ' ILE . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.785 HG23 ' HB2' ' A' ' 105' ' ' ALA . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.578 ' HE2' ' HB1' ' A' ' 105' ' ' ALA . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 94' ' ' LEU . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.262 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.992 HD11 HG22 ' A' ' 113' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.0 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.617 ' HB3' ' CD2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.719 HD12 HD21 ' A' ' 94' ' ' LEU . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 8' ' ' LEU . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.202 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.843 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.492 HG12 ' OD1' ' A' ' 68' ' ' ASP . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -77.7 58.76 6.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD1' HG12 ' A' ' 66' ' ' VAL . 19.2 m-20 -85.04 -75.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 3.0 p90 -141.72 63.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.84 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 79.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtp 64.11 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -154.07 29.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -48.59 -33.84 10.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.263 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.12 86.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -145.84 29.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.06 147.02 36.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.784 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.0 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.6 HG11 ' HG ' ' A' ' 94' ' ' LEU . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 111.265 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 91' ' ' MET . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.594 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.794 ' CD1' HD13 ' A' ' 28' ' ' ILE . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.797 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 89' ' ' HIS . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.676 ' C ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.676 HD12 ' C ' ' A' ' 91' ' ' MET . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.719 HD21 HD12 ' A' ' 58' ' ' ILE . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 102' ' ' ILE . . . -104.64 -144.21 12.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' HD11 ' A' ' 102' ' ' ILE . 8.9 t -87.23 153.43 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.94 132.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -131.22 -67.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.7 -31.54 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -121.96 97.37 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 140.33 12.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 93' ' ' ASP . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.66 ' O ' HG21 ' A' ' 37' ' ' THR . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.785 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.281 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.782 ' O ' HD12 ' A' ' 116' ' ' ILE . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.992 HG22 HD11 ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 112' ' ' MET . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 115' ' ' ILE . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.394 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.617 ' CD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 150.82 7.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt 59.6 176.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.88 109.94 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -104.85 153.07 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.02 112.506 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.807 0.337 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -60.2 128.61 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.27 -53.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 42' ' ' ASP . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' ND2' ' A' ' 87' ' ' ASN . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 84' ' ' PHE . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' CB ' ' A' ' 105' ' ' ALA . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.866 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD1' HD21 ' A' ' 5' ' ' LEU . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG23 ' HG2' ' A' ' 109' ' ' LYS . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 45' ' ' LEU . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.3 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 116' ' ' ILE . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.0 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 45' ' ' LEU . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.738 ' HB3' HD23 ' A' ' 8' ' ' LEU . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 29' ' ' ARG . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.72 ' O ' HG12 ' A' ' 66' ' ' VAL . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 63' ' ' ILE . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 89.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.0 112.235 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -90.04 176.03 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.13 38.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.31 -69.82 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.13 -69.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.9 mtt -144.3 -54.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CG ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -162.73 30.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.64 -67.01 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.089 0.471 . . . . 0.0 111.29 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -86.53 109.38 19.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' CG ' ' CE2' ' A' ' 73' ' ' TYR . 1.3 t80 -177.54 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -81.5 150.01 66.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.0 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 80' ' ' THR . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' HD23 ' A' ' 94' ' ' LEU . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.786 ' HB2' HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.463 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' HD12 ' A' ' 19' ' ' LEU . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.438 ' N ' HD13 ' A' ' 90' ' ' ILE . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.461 ' HB3' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.866 HD22 ' CG ' ' A' ' 41' ' ' MET . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.35 -128.23 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -141.17 158.32 44.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.47 -45.29 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.35 33.44 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -158.23 -62.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.79 -173.41 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -49.94 167.85 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 93' ' ' ASP . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.666 ' O ' HG21 ' A' ' 37' ' ' THR . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.299 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.636 ' HG2' HG23 ' A' ' 44' ' ' VAL . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.689 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 109' ' ' LYS . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.929 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.0 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -100.08 -34.88 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.61 -69.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.28 -47.57 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -60.62 86.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.02 112.454 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.832 0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.45 158.68 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp -97.29 -75.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.0 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.824 ' HB3' HG22 ' A' ' 14' ' ' VAL . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.787 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' HA ' HG11 ' A' ' 26' ' ' VAL . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' ' 25' ' ' VAL . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG23 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.0 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 57' ' ' VAL . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.022 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.759 ' HB ' HG23 ' A' ' 58' ' ' ILE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.75 ' HD2' HG22 ' A' ' 81' ' ' VAL . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.0 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 105' ' ' ALA . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 105' ' ' ALA . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.834 ' HG3' HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.645 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 48' ' ' ILE . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.801 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 58' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 44' ' ' VAL . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.769 HG11 ' CG2' ' A' ' 116' ' ' ILE . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.789 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.0 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.799 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.168 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 HD23 ' A' ' 45' ' ' LEU . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 60' ' ' LEU . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 59' ' ' TYR . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.77 99.9 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.279 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' HD12 ' A' ' 75' ' ' LEU . 12.8 p-10 -89.95 -175.35 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -141.67 80.43 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -156.91 32.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 58.46 22.28 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 mmm 53.72 30.49 11.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -128.59 -59.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.77 -48.49 59.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.209 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 68' ' ' ASP . 66.7 mt -90.01 77.49 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -138.77 31.18 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.33 154.93 51.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 ' HD2' ' A' ' 29' ' ' ARG . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.497 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.769 HG22 HG12 ' A' ' 92' ' ' ILE . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.693 ' O ' HD13 ' A' ' 92' ' ' ILE . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 90' ' ' ILE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD11 ' HG3' ' A' ' 41' ' ' MET . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.32 133.73 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 115' ' ' ILE . 73.6 p -106.91 79.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.04 -73.64 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.05 -173.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.66 31.41 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -157.41 127.52 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.82 158.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.326 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.0 111.325 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 113' ' ' VAL . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.694 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 109' ' ' LYS . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 96' ' ' THR . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.626 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.769 ' CG2' HG11 ' A' ' 52' ' ' VAL . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.16 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 25' ' ' VAL . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 177.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 85.67 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.76 85.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.5 158.82 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.451 -1.194 . . . . 0.02 112.486 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.884 0.373 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.42 140.49 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.07 -169.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.0 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.421 ' CG ' ' HB2' ' A' ' 60' ' ' LEU . 9.8 t-80 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 14' ' ' VAL . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.808 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.6 m120 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.438 HD12 ' OD1' ' A' ' 87' ' ' ASN . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.816 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.401 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.744 HG22 ' CE2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.628 HG21 ' O ' ' A' ' 103' ' ' ASN . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 94' ' ' LEU . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 5' ' ' LEU . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.87 HG12 HG12 ' A' ' 48' ' ' ILE . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.824 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.051 HD11 HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.87 HG12 HG12 ' A' ' 44' ' ' VAL . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 55' ' ' PHE . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.334 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 52' ' ' VAL . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.816 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.636 HG13 HG23 ' A' ' 26' ' ' VAL . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 1.051 HD13 HD11 ' A' ' 45' ' ' LEU . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' C ' HD22 ' A' ' 60' ' ' LEU . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 29' ' ' ARG . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 74' ' ' GLU . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 9' ' ' HIS . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo -50.22 144.17 23.87 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.0 112.449 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -82.23 -30.39 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -123.47 73.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -124.67 1.81 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -72.53 -39.37 67.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -18.91 17.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -143.88 50.49 1.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.849 0.356 . . . . 0.0 110.741 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -42.58 -37.13 1.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.501 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.32 162.04 15.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -178.9 -82.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.73 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.21 141.71 27.92 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.0 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.574 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.913 HG11 ' HG ' ' A' ' 94' ' ' LEU . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.248 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 27' ' ' VAL . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' ' O ' ' A' ' 85' ' ' PHE . 3.9 m120 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 90' ' ' ILE . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.73 HG23 ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.509 ' HA ' HG13 ' A' ' 81' ' ' VAL . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.913 ' HG ' HG11 ' A' ' 81' ' ' VAL . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.797 ' C ' HD11 ' A' ' 102' ' ' ILE . . . 157.03 -146.0 12.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.69 ' N ' HD11 ' A' ' 102' ' ' ILE . 61.0 m -152.56 85.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.37 -158.7 1.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -65.74 -32.76 74.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.37 32.2 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 62.88 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -49.86 119.94 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.233 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.797 HD11 ' C ' ' A' ' 95' ' ' GLY . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' HG21 ' A' ' 37' ' ' THR . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.234 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' H ' HG11 ' A' ' 44' ' ' VAL . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.774 ' SD ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.359 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.801 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 115' ' ' ILE . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 30.5 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -177.5 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.93 23.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -157.68 141.92 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.367 -1.241 . . . . 0.02 112.498 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -83.33 101.19 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp -86.44 129.45 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 45' ' ' LEU . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.587 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG22 HD23 ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' HD22 ' A' ' 19' ' ' LEU . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 59' ' ' TYR . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.272 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.71 HD12 ' CG ' ' A' ' 87' ' ' ASN . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HE ' HG23 ' A' ' 25' ' ' VAL . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 57' ' ' VAL . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.765 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' NH2' HD11 ' A' ' 60' ' ' LEU . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HB2' HG23 ' A' ' 80' ' ' THR . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.0 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 105' ' ' ALA . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.799 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.618 ' OD1' HD13 ' A' ' 5' ' ' LEU . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 48' ' ' ILE . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.916 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG12 HG22 ' A' ' 44' ' ' VAL . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.439 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 26' ' ' VAL . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HE1' ' A' ' 41' ' ' MET . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 8' ' ' LEU . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG22 HD22 ' A' ' 8' ' ' LEU . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 62' ' ' ASP . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 95.3 Cg_exo -43.94 -29.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.0 112.831 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.61 87.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.68 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.6 p30 -176.55 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tttp 69.81 -66.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mtp -136.07 -63.37 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 15.4 p90 -156.23 37.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -48.81 -53.95 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.386 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -90.27 56.26 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.124 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -76.27 -69.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 165.52 13.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.0 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 30' ' ' PHE . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.729 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 HD22 ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 28' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.577 ' CE1' HG13 ' A' ' 25' ' ' VAL . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 19' ' ' LEU . 2.7 t30 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 HD11 ' A' ' 92' ' ' ILE . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' CB ' HD11 ' A' ' 102' ' ' ILE . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.798 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.36 -129.35 2.74 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 97' ' ' GLY . 9.0 t -98.74 -46.24 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 96' ' ' THR . . . 119.92 148.37 8.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.524 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -176.37 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -144.85 36.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 62.81 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -49.95 107.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.233 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 93' ' ' ASP . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 37' ' ' THR . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.447 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.0 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.65 ' C ' HG21 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.222 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.579 ' HG2' HG23 ' A' ' 44' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.0 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 94' ' ' LEU . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 48' ' ' ILE . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.0 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 112' ' ' MET . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 112' ' ' MET . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -92.78 -46.54 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -176.7 153.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.3 -99.38 1.04 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.63 84.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.362 -1.243 . . . . 0.02 112.531 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.878 0.37 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -150.71 78.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm 61.0 100.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 45' ' ' LEU . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.0 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 56.7 p-80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.806 HD13 ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TRP . . . . . 0.453 ' O ' ' NE2' ' A' ' 16' ' ' GLN . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 10' ' ' ASN . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLN . . . . . 0.453 ' NE2' ' O ' ' A' ' 12' ' ' TRP . 30.0 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HA ' HG11 ' A' ' 26' ' ' VAL . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE1' HG21 ' A' ' 57' ' ' VAL . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 111.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.135 HG13 HG23 ' A' ' 57' ' ' VAL . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.78 ' C ' HD13 ' A' ' 28' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.0 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.825 HG23 ' CB ' ' A' ' 105' ' ' ALA . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 94' ' ' LEU . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.74 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.0 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.761 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 120' ' ' TYR . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.434 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HD3' HD21 ' A' ' 5' ' ' LEU . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.339 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.135 HG23 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.155 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.751 HG23 ' HB ' ' A' ' 27' ' ' VAL . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.806 ' CD2' HD13 ' A' ' 8' ' ' LEU . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' THR . . . . . 0.663 HG22 ' HG3' ' A' ' 71' ' ' LYS . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.511 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo -78.52 130.72 10.05 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.0 112.473 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.39 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -85.47 57.57 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -159.64 -46.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.727 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.74 85.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 179.25 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -113.93 -26.49 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -39.89 91.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.095 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -65.35 137.3 57.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -176.77 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.14 148.32 42.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG12 ' HB ' ' A' ' 102' ' ' ILE . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 81' ' ' VAL . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD2' HD12 ' A' ' 92' ' ' ILE . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' ILE . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.707 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 89' ' ' HIS . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.989 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.589 HD13 ' CG2' ' A' ' 119' ' ' VAL . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 102' ' ' ILE . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD22 ' HE3' ' A' ' 112' ' ' MET . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.58 -109.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.587 ' HA ' HD13 ' A' ' 115' ' ' ILE . 88.6 m -164.07 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.56 86.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.88 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.7 -169.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.58 -76.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt -50.56 100.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.605 ' HB ' HG12 ' A' ' 81' ' ' VAL . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.021 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' HG21 ' A' ' 37' ' ' THR . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.825 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.703 ' HD2' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 109' ' ' LYS . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 96' ' ' THR . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.0 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.589 ' CG2' HD13 ' A' ' 92' ' ' ILE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.492 ' CE2' HG11 ' A' ' 52' ' ' VAL . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -95.25 -74.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -169.68 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -153.54 105.45 0.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 60.62 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.504 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.815 0.341 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -142.83 31.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm -62.84 159.66 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.0 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.029 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 14' ' ' VAL . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 57' ' ' VAL . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 83' ' ' PHE . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.622 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.426 HH12 HD11 ' A' ' 45' ' ' LEU . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 63' ' ' ILE . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' O ' ' A' ' 103' ' ' ASN . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.0 110.786 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.691 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.839 HG21 ' HB2' ' A' ' 108' ' ' ASP . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' N ' HD12 ' A' ' 48' ' ' ILE . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 120' ' ' TYR . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.773 ' N ' HD13 ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.97 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.064 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 62' ' ' ASP . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.1 -26.74 83.29 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.0 112.259 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -78.67 80.03 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.52 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -133.94 -46.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 63.9 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.7 mmt -105.42 -69.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.72 28.58 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' HB3' HD11 ' A' ' 63' ' ' ILE . 2.0 mm-40 -49.3 -34.05 14.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.307 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 1.3 mt -73.43 -170.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.4 t80 79.76 -55.04 0.4 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.65 139.0 91.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 82' ' ' MET . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.362 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 81' ' ' VAL . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.75 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 90' ' ' ILE . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.622 ' HD1' HD13 ' A' ' 28' ' ' ILE . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.997 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 83' ' ' PHE . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 83' ' ' PHE . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.678 HD21 ' HG3' ' A' ' 41' ' ' MET . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.35 -153.45 22.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -127.57 -172.65 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.722 0.296 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 96' ' ' THR . . . 137.65 -127.13 3.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.13 -31.47 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -153.38 133.46 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -59.53 -75.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 94.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.275 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 94' ' ' LEU . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.556 ' O ' HG21 ' A' ' 37' ' ' THR . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.05 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.839 ' HB2' HG21 ' A' ' 44' ' ' VAL . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.605 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.612 ' O ' HD12 ' A' ' 116' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 109' ' ' LYS . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.025 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.872 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 25' ' ' VAL . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -72.88 -73.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -109.23 -63.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.62 135.91 2.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.434 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -147.4 -50.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.357 -1.246 . . . . 0.02 112.568 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.795 0.331 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.23 159.97 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt -133.56 -77.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.0 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 13' ' ' GLN . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 14' ' ' VAL . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' HB3' HD13 ' A' ' 8' ' ' LEU . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 87' ' ' ASN . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' CD2' HG23 ' A' ' 18' ' ' ILE . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HA ' HG21 ' A' ' 57' ' ' VAL . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' HG23 ' A' ' 25' ' ' VAL . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.342 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.847 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.0 111.498 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.859 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.526 ' SD ' HD13 ' A' ' 94' ' ' LEU . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.625 ' OD2' HD13 ' A' ' 5' ' ' LEU . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.924 HG21 ' CB ' ' A' ' 108' ' ' ASP . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 44' ' ' VAL . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 52' ' ' VAL . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HD2' HG13 ' A' ' 113' ' ' VAL . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 1.034 HG12 HG21 ' A' ' 116' ' ' ILE . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.0 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ILE . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo -76.15 130.73 12.37 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.0 112.384 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.12 -31.05 58.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -125.07 74.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -95.93 -28.46 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -55.45 -23.93 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -79.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.975 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -156.6 25.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -68.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.06 0.457 . . . . 0.0 111.181 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -61.13 155.81 19.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -176.71 -68.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.99 161.06 39.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.0 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.844 ' CG1' HD13 ' A' ' 102' ' ' ILE . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.716 ' HB2' HG13 ' A' ' 26' ' ' VAL . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.744 ' HA ' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 -179.911 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.8 m-70 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 83' ' ' PHE . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.577 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.07 -97.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 106' ' ' MET . 32.6 p -132.48 -172.33 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.62 175.58 46.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -91.07 -74.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -98.85 -46.59 5.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -160.36 -67.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.96 146.05 5.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.264 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.844 HD13 ' CG1' ' A' ' 81' ' ' VAL . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' MET . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.71 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.924 ' CB ' HG21 ' A' ' 44' ' ' VAL . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.683 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.692 ' O ' HD12 ' A' ' 116' ' ' ILE . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 109' ' ' LYS . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 1.034 HG21 HG12 ' A' ' 52' ' ' VAL . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.143 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -94.37 162.61 13.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -100.88 -37.93 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.85 -128.46 2.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -131.02 -73.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.37 -1.239 . . . . 0.02 112.591 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.801 0.334 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -160.81 143.5 12.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt -131.29 -75.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 45' ' ' LEU . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.0 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 3.2 m-70 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.803 HD12 HG22 ' A' ' 61' ' ' VAL . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.605 HG21 ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 19' ' ' LEU . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 ' HB2' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.0 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.876 HG13 ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 27' ' ' VAL . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.889 ' NH2' HD11 ' A' ' 94' ' ' LEU . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.0 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 105' ' ' ALA . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.737 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.622 ' SD ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.955 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.922 HG12 HG12 ' A' ' 48' ' ' ILE . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.258 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.922 HG12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.319 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HG3' HG22 ' A' ' 52' ' ' VAL . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.374 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 51' ' ' LYS . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.747 HG23 HG23 ' A' ' 26' ' ' VAL . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 45' ' ' LEU . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.803 HG22 HD12 ' A' ' 8' ' ' LEU . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 ' CD1' ' A' ' 30' ' ' PHE . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG23 ' A' ' 66' ' ' VAL . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.647 HG23 ' HG3' ' A' ' 65' ' ' GLU . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.58 85.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.184 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ASP . . . . . 0.452 ' HB2' HG23 ' A' ' 63' ' ' ILE . 14.2 m-20 -73.93 -71.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.06 40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -59.38 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 63.77 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 mtp -109.0 -61.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -161.18 30.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.44 -33.71 9.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.263 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.3 tt -67.33 77.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -110.27 -31.07 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.23 134.64 42.88 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 82' ' ' MET . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.498 ' N ' HG12 ' A' ' 81' ' ' VAL . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.876 ' CE1' HG13 ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.753 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.583 ' HD2' HG13 ' A' ' 25' ' ' VAL . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 83' ' ' PHE . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.221 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.721 ' OD2' HD13 ' A' ' 102' ' ' ILE . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.658 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.889 HD11 ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.1 149.87 18.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.8 m -66.48 -69.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.999 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.08 44.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.21 -31.75 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -155.72 31.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.43 -81.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -50.03 99.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.721 HD13 ' OD2' ' A' ' 93' ' ' ASP . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.648 ' O ' HG21 ' A' ' 37' ' ' THR . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.365 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB3' HG23 ' A' ' 37' ' ' THR . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.0 111.496 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.842 ' OD1' HG13 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 113' ' ' VAL . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.0 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.705 ' CG ' HG11 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 48' ' ' ILE . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.257 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 48' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 115' ' ' ILE . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -69.13 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.0 -49.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.554 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -150.68 93.93 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.434 -1.203 . . . . 0.02 112.48 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -160.07 103.74 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm -170.16 -70.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 61' ' ' VAL . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.881 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.773 ' HA ' HD12 ' A' ' 18' ' ' ILE . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 32.9 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 15' ' ' ASP . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.037 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 57' ' ' VAL . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 28' ' ' ILE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 27' ' ' VAL . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 63' ' ' ILE . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.581 HG23 ' HB2' ' A' ' 105' ' ' ALA . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.474 ' HE2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.884 ' O ' HG22 ' A' ' 48' ' ' ILE . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 42' ' ' ASP . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.997 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.806 ' CE1' HD23 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.797 ' CG1' HG21 ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.983 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 26' ' ' VAL . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG11 ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HG22 ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 8' ' ' LEU . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 66' ' ' VAL . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 30' ' ' PHE . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 62' ' ' ASP . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -43.51 52.85 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.0 112.322 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.42 -178.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 60.2 93.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -162.01 -48.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.92 -79.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.4 ptt? -138.44 -50.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 17.3 p90 -165.59 33.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.73 -31.53 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 63' ' ' ILE . 7.4 mp -72.57 119.17 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -172.22 -61.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.21 149.03 77.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.0 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.819 HG21 HD11 ' A' ' 94' ' ' LEU . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.441 ' N ' HG12 ' A' ' 81' ' ' VAL . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.0 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.639 ' CD1' HG23 ' A' ' 119' ' ' VAL . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.336 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.622 HD13 HD11 ' A' ' 115' ' ' ILE . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 81' ' ' VAL . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.32 -133.66 3.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -60.38 102.07 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.57 14.86 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.92 -34.22 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -164.58 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -85.94 68.85 10.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -49.94 161.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.253 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' HG21 ' A' ' 37' ' ' THR . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.209 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 44' ' ' VAL . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.41 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' N ' HG11 ' A' ' 44' ' ' VAL . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 111.153 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.848 ' O ' HD12 ' A' ' 116' ' ' ILE . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.622 HD11 HD13 ' A' ' 92' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -94.23 -174.51 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm 60.56 95.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.52 -28.56 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.54 -46.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.373 -1.237 . . . . 0.02 112.52 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -118.34 143.35 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt 63.8 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.255 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.6 p80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD13 HG22 ' A' ' 14' ' ' VAL . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.892 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.035 HG22 HD13 ' A' ' 8' ' ' LEU . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 87' ' ' ASN . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 19' ' ' LEU . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 57' ' ' VAL . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.0 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 57' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE1' HG11 ' A' ' 61' ' ' VAL . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.0 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 103' ' ' ASN . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.573 ' CE ' HG22 ' A' ' 102' ' ' ILE . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.845 ' O ' HG22 ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 94' ' ' LEU . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.495 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' HB2' HD11 ' A' ' 5' ' ' LEU . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 58' ' ' ILE . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' HG12 ' A' ' 25' ' ' VAL . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.588 HD12 ' C ' ' A' ' 57' ' ' VAL . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.503 ' N ' HG22 ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.868 HG22 HD12 ' A' ' 8' ' ' LEU . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 63' ' ' ILE . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo -49.44 137.89 31.46 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.0 112.423 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.93 56.0 3.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 60.83 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' CB ' ' CB ' ' A' ' 74' ' ' GLU . 19.1 m120 -157.18 42.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 65.84 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.9 mtm -169.75 -71.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.505 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -86.07 -40.61 15.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.276 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CB ' ' CB ' ' A' ' 70' ' ' ASN . 2.0 tp10 -72.9 -68.17 0.51 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.062 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.5 129.45 37.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.46 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.02 153.0 68.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.0 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.716 HG21 ' CD1' ' A' ' 94' ' ' LEU . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.49 ' N ' HG12 ' A' ' 81' ' ' VAL . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.833 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.834 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.542 ' ND2' HD12 ' A' ' 19' ' ' LEU . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 0.3 OUTLIER 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.716 ' CD1' HG21 ' A' ' 81' ' ' VAL . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.34 -163.75 11.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.428 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -59.91 125.7 24.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.76 -76.27 0.27 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 64.17 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -157.55 -54.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -83.48 80.05 9.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LYS . . . . . 0.434 ' O ' ' ND2' ' A' ' 103' ' ' ASN . 6.8 mtmt -49.89 154.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.794 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.573 HG22 ' CE ' ' A' ' 41' ' ' MET . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 37' ' ' THR . 3.9 p30 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.0 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.891 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.75 ' SD ' HG21 ' A' ' 48' ' ' ILE . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 109' ' ' LYS . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 110.586 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 115' ' ' ILE . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.818 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -80.47 -170.53 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -73.07 -66.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.65 -124.09 5.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.555 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 89.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.429 -1.206 . . . . 0.02 112.449 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -129.31 123.88 32.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 5' ' ' LEU . 2.1 ptm -105.4 -29.0 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 42' ' ' ASP . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.0 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.9 p80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD11 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' VAL . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.1 mm100 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 10' ' ' ASN . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . 0.655 ' HB2' HG12 ' A' ' 57' ' ' VAL . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.887 HG11 HG12 ' A' ' 119' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 57' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.698 ' O ' HD13 ' A' ' 28' ' ' ILE . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.464 ' NE ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG23 ' A' ' 63' ' ' ILE . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.0 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 103' ' ' ASN . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.006 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' HG22 ' A' ' 37' ' ' THR . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' HA ' HD21 ' A' ' 5' ' ' LEU . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 HG12 ' A' ' 48' ' ' ILE . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD22 HD13 ' A' ' 58' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.799 HG12 HG12 ' A' ' 44' ' ' VAL . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG11 HG22 ' A' ' 116' ' ' ILE . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.574 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 26' ' ' VAL . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 111.458 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.604 HG23 ' HB ' ' A' ' 27' ' ' VAL . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.92 HG22 HD11 ' A' ' 8' ' ' LEU . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 30' ' ' PHE . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 9' ' ' HIS . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 66' ' ' VAL . 72.9 Cg_endo -76.19 58.83 5.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.37 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -90.03 170.56 10.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.96 -33.35 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 29.99 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt 62.39 -80.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.1 mmt -130.39 -45.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -165.23 35.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 6.5 tt0 -47.96 -33.34 7.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.293 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.9 pp -81.2 136.56 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 39.7 p90 -176.7 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.12 147.57 61.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.0 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 82' ' ' MET . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.739 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.428 ' N ' HG12 ' A' ' 81' ' ' VAL . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.409 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CD2' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.842 ' HB3' HD11 ' A' ' 90' ' ' ILE . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.842 HD11 ' HB3' ' A' ' 85' ' ' PHE . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.98 HD12 ' CD2' ' A' ' 83' ' ' PHE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.037 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.516 HD13 ' HE3' ' A' ' 112' ' ' MET . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA3' HD11 ' A' ' 102' ' ' ILE . . . -114.06 172.71 14.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.479 ' HA ' HD11 ' A' ' 115' ' ' ILE . 9.9 t -72.54 125.67 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.17 157.78 8.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -74.78 -68.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.44 -169.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.47 61.6 3.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -49.97 -30.03 9.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.363 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.468 HD11 ' HA3' ' A' ' 95' ' ' GLY . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' HG21 ' A' ' 37' ' ' THR . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 111.087 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' LYS . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.895 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.887 HG12 HG11 ' A' ' 25' ' ' VAL . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.45 ' CD2' HG12 ' A' ' 52' ' ' VAL . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -88.48 169.68 11.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -157.77 126.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.74 -30.54 1.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 60.7 178.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.36 -1.245 . . . . 0.02 112.507 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -85.78 141.2 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE3' ' CE2' ' A' ' 46' ' ' TYR . 16.4 ptp -106.84 -38.54 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 42' ' ' ASP . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.0 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 14' ' ' VAL . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' HD23 ' A' ' 8' ' ' LEU . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 84' ' ' PHE . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.0 111.661 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 57' ' ' VAL . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' A' ' 58' ' ' ILE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 27' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.861 ' CG ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' HD11 ' A' ' 63' ' ' ILE . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 105' ' ' ALA . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.744 ' SD ' HD22 ' A' ' 94' ' ' LEU . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.422 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 5' ' ' LEU . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.463 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.124 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.466 ' CE2' ' HE3' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.926 HD11 HG22 ' A' ' 113' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 49' ' ' ALA . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.577 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 26' ' ' VAL . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.716 HG23 ' HB ' ' A' ' 27' ' ' VAL . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.695 ' C ' HD22 ' A' ' 60' ' ' LEU . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 59' ' ' TYR . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 61' ' ' VAL . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 30' ' ' PHE . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 10' ' ' ASN . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 66' ' ' VAL . 55.9 Cg_endo -70.17 110.25 2.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.0 112.265 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -174.06 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' CD1' ' HE2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -60.68 -34.3 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.43 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.3 mttm 64.06 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mtt -120.04 -67.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -149.46 29.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.04 -32.4 9.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.3 pp -70.76 65.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 69.3 t80 -164.44 30.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -90.06 147.9 38.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 92' ' ' ILE . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 18' ' ' ILE . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.78 ' OD2' HG23 ' A' ' 96' ' ' THR . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.17 -29.99 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.586 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.78 HG23 ' OD2' ' A' ' 93' ' ' ASP . 1.3 m 63.51 124.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.93 -47.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -118.34 -71.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.62 -69.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.796 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -160.42 28.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -50.88 93.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' VAL . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.0 111.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 37' ' ' THR . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.659 ' HA ' HG21 ' A' ' 44' ' ' VAL . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.282 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.239 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.857 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.926 HG22 HD11 ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.8 HG12 HG11 ' A' ' 25' ' ' VAL . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -90.75 48.74 1.57 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? 46.25 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.293 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -178.0 106.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -154.77 -64.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.378 -1.235 . . . . 0.02 112.466 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -110.11 178.57 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm -147.99 -176.52 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 14' ' ' VAL . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 66' ' ' VAL . 23.4 t-160 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 8' ' ' LEU . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' HB ' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.678 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HD2' HD22 ' A' ' 60' ' ' LEU . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 105' ' ' ALA . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.706 ' SD ' HD21 ' A' ' 94' ' ' LEU . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 109' ' ' LYS . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.012 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.387 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 116' ' ' ILE . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.201 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.779 HG23 ' HB ' ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.636 ' CB ' HG23 ' A' ' 27' ' ' VAL . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 8' ' ' LEU . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' HD2' ' A' ' 29' ' ' ARG . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 9' ' ' HIS . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo -81.6 129.35 6.43 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.0 112.436 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.99 155.61 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.48 30.42 19.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -113.51 -17.79 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.331 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -50.37 107.12 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.2 ttt 59.2 61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.06 -64.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -53.56 -34.0 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.253 -179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.83 134.91 55.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -160.99 -59.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 151.18 44.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 30' ' ' PHE . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.751 HG11 HD23 ' A' ' 94' ' ' LEU . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.612 ' CD2' HD12 ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 92' ' ' ILE . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' MET . . . . . 0.787 ' O ' HD13 ' A' ' 92' ' ' ILE . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 91' ' ' MET . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD23 HG11 ' A' ' 81' ' ' VAL . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -103.95 -101.49 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 146.84 42.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.55 -102.13 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 60.88 165.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -100.17 32.15 3.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -136.38 173.47 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -49.91 154.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.261 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.543 HD13 ' HB ' ' A' ' 81' ' ' VAL . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' H ' HG23 ' A' ' 37' ' ' THR . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.323 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.634 ' O ' HD12 ' A' ' 116' ' ' ILE . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.643 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' HE3' ' A' ' 51' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 119' ' ' VAL . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 48' ' ' ILE . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.252 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 115' ' ' ILE . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -89.52 -178.4 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.7 -31.08 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.18 160.38 12.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.403 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -132.3 141.86 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.338 -1.257 . . . . 0.02 112.58 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.836 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -176.22 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' MET . . . . . 0.414 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? -69.69 -68.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 60' ' ' LEU . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.0 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.72 ' O ' HG22 ' A' ' 66' ' ' VAL . 6.0 m80 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.836 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.775 ' HB3' HD23 ' A' ' 8' ' ' LEU . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 10' ' ' ASN . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 18' ' ' ILE . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 15' ' ' ASP . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.65 HG21 HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 111.342 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 57' ' ' VAL . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.09 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' A' ' 58' ' ' ILE . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.808 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.006 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 63' ' ' ILE . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 63.2 t60 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.0 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.896 HG23 ' HB2' ' A' ' 105' ' ' ALA . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' HG2' ' A' ' 29' ' ' ARG . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' OD1' HD22 ' A' ' 5' ' ' LEU . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.407 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 40' ' ' LYS . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.34 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.836 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 111.228 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG3' HG13 ' A' ' 52' ' ' VAL . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.204 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 51' ' ' LYS . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.414 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 26' ' ' VAL . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.688 HG21 ' CD1' ' A' ' 45' ' ' LEU . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' ILE . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD13 ' A' ' 8' ' ' LEU . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 30' ' ' PHE . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.32 86.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.0 112.341 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.12 112.63 24.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.27 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -178.72 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 48.83 71.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 62.99 -79.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -147.69 21.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.32 -28.27 11.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.96 49.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 66.3 t80 -156.58 25.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.13 136.93 28.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' LEU . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.468 ' HA ' HG22 ' A' ' 92' ' ' ILE . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 90' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 28' ' ' ILE . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 25' ' ' VAL . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 21.3 t-80 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG13 HD11 ' A' ' 115' ' ' ILE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 115' ' ' ILE . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.77 63.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 102' ' ' ILE . 5.6 m 61.64 153.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.95 -157.65 29.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -94.59 -76.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 -53.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -141.64 17.4 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.202 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -52.35 -25.44 9.71 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 96' ' ' THR . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.265 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' TRP . . . . . 0.426 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.278 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.632 ' HE2' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 48' ' ' ILE . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.591 ' CD1' HD12 ' A' ' 48' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 115' ' ' ILE . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.0 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.04 83.37 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 60.73 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.9 -134.94 12.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 60.67 106.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.382 -1.232 . . . . 0.02 112.445 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -157.18 -62.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp 60.19 167.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 ' CG ' ' A' ' 42' ' ' ASP . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.712 HD22 HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.788 ' O ' HG22 ' A' ' 66' ' ' VAL . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.819 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 18' ' ' ILE . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 19' ' ' LEU . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 18' ' ' ILE . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.0 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 57' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.843 ' HB2' HG23 ' A' ' 81' ' ' VAL . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.43 HG22 ' CZ ' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.603 ' O ' HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.587 ' CE ' HD21 ' A' ' 60' ' ' LEU . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' CG ' HD23 ' A' ' 5' ' ' LEU . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 48' ' ' ILE . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 44' ' ' VAL . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.259 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 52' ' ' VAL . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' HG3' ' A' ' 51' ' ' LYS . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.444 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.878 HG23 HG13 ' A' ' 26' ' ' VAL . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 41' ' ' MET . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.0 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD21 ' CE ' ' A' ' 41' ' ' MET . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.707 HG13 HG21 ' A' ' 66' ' ' VAL . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.618 HG22 HD12 ' A' ' 75' ' ' LEU . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 9' ' ' HIS . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo -49.35 121.58 7.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.0 112.389 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.74 -31.79 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -169.43 95.55 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASN . . . . . 0.599 ' HB3' HD23 ' A' ' 75' ' ' LEU . 27.4 p-10 -98.53 32.07 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.9 mttt 63.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 mtt -126.95 -59.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 13.4 p90 -161.7 30.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.61 -34.42 11.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.251 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD12 HG22 ' A' ' 63' ' ' ILE . 3.7 mm? -90.08 68.15 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 4.1 m-85 -136.42 30.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.91 164.56 36.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.0 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD23 ' A' ' 94' ' ' LEU . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.505 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.433 ' HB2' HD13 ' A' ' 28' ' ' ILE . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' VAL . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.752 ' O ' HD13 ' A' ' 90' ' ' ILE . 16.4 m-70 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 89' ' ' HIS . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.768 HG21 ' CG2' ' A' ' 119' ' ' VAL . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.181 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' CG ' HG13 ' A' ' 81' ' ' VAL . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.852 HD23 HG21 ' A' ' 81' ' ' VAL . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.546 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -90.94 170.38 34.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -161.68 120.1 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -141.08 48.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -162.0 149.01 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -61.82 -74.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -49.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.246 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.546 HG21 ' HA3' ' A' ' 95' ' ' GLY . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' HG21 ' A' ' 37' ' ' THR . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' HG21 ' A' ' 44' ' ' VAL . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.77 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.0 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 92' ' ' ILE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -98.08 -46.35 5.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 135.95 44.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -78.81 -73.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.338 -1.256 . . . . 0.02 112.525 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.779 0.323 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -104.52 -37.94 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -79.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.254 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.0 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.061 HD23 HG22 ' A' ' 14' ' ' VAL . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.835 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.061 HG22 HD23 ' A' ' 8' ' ' LEU . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 18' ' ' ILE . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 15' ' ' ASP . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.987 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 57' ' ' VAL . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.311 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.695 ' O ' HD13 ' A' ' 28' ' ' ILE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.254 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' NH1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.618 ' SG ' HD12 ' A' ' 60' ' ' LEU . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.856 ' SD ' HD22 ' A' ' 94' ' ' LEU . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 110.496 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' VAL . . . . . 0.882 HG22 HG12 ' A' ' 48' ' ' ILE . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.904 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 58' ' ' ILE . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.197 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.882 HG12 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 111.483 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.0 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 15.9 t-20 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.958 HD13 HD11 ' A' ' 45' ' ' LEU . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.852 ' CD2' HD12 ' A' ' 5' ' ' LEU . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.995 HG22 HD22 ' A' ' 8' ' ' LEU . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 74' ' ' GLU . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 66' ' ' VAL . 60.7 Cg_endo -72.62 61.85 3.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.0 112.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.88 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -55.9 -45.89 78.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 64.49 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 73' ' ' TYR . 3.0 ttt -90.41 51.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' MET . 59.2 m-85 -157.03 -60.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.7 mt-10 -51.64 -33.72 34.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.293 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.46 154.65 35.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.8 18.34 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.265 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -90.23 130.94 40.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.0 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' CYS . . . . . 0.468 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 102' ' ' ILE . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.767 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 81' ' ' VAL . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 26' ' ' VAL . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' HIS . . . . . 0.611 ' O ' HD13 ' A' ' 90' ' ' ILE . 33.6 m-70 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 89' ' ' HIS . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ILE . . . . . 0.993 HD11 ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ASP . . . . . 0.509 ' CG ' HD11 ' A' ' 102' ' ' ILE . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.856 HD22 ' SD ' ' A' ' 41' ' ' MET . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -127.63 -85.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.86 -68.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.26 -102.6 2.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -176.41 -65.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.06 31.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -160.04 -177.73 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -49.87 146.91 4.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.285 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ILE . . . . . 0.652 HG21 ' HG ' ' A' ' 94' ' ' LEU . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . 0.628 ' H ' HG23 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LYS . . . . . 0.671 ' H ' HG21 ' A' ' 44' ' ' VAL . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' MET . . . . . 0.697 ' O ' HD12 ' A' ' 116' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 109' ' ' LYS . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.05 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.0 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -99.75 -53.61 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -52.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.91 -159.13 31.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -160.5 106.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.39 -1.228 . . . . 0.02 112.546 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.138 0 CA-C-O 120.766 0.317 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 45' ' ' LEU . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.0 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 13' ' ' GLN . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.446 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 16.4 m80 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 10' ' ' ASN . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 19' ' ' LEU . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.63 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.838 ' HG3' HG22 ' A' ' 81' ' ' VAL . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 105' ' ' ALA . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 94' ' ' LEU . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 112' ' ' MET . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.285 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CD1' HG12 ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.0 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' LEU . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.861 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.827 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 62' ' ' ASP . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo . . . . . 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.0 112.42 -179.925 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 9.1 t70 . . . . . 0 CA--C 1.528 0.098 0 CA-C-O 120.627 0.251 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.838 HG22 ' HG3' ' A' ' 29' ' ' ARG . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB2' HG13 ' A' ' 26' ' ' VAL . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.559 ' HB2' HG23 ' A' ' 25' ' ' VAL . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.653 HD13 HG13 ' A' ' 119' ' ' VAL . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.748 ' CD1' HG21 ' A' ' 81' ' ' VAL . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.356 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt . . . . . 0 N--CA 1.456 -0.129 0 CA-C-O 120.833 0.349 . . . . 0.0 111.294 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.447 HD12 ' OE1' ' A' ' 107' ' ' GLU . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' HG21 ' A' ' 37' ' ' THR . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 102' ' ' ILE . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 44' ' ' VAL . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.838 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.837 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.838 HD12 ' C ' ' A' ' 112' ' ' MET . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 115' ' ' ILE . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.33 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.56 ' CZ ' HG23 ' A' ' 116' ' ' ILE . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.843 0.354 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 8' ' ' LEU . 6.2 p-80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 14' ' ' VAL . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 10' ' ' ASN . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.792 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.098 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 57' ' ' VAL . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 28' ' ' ILE . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.838 ' CG ' HG22 ' A' ' 81' ' ' VAL . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.669 ' HA2' HG22 ' A' ' 63' ' ' ILE . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 64' ' ' THR . 29.3 m170 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.0 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 103' ' ' ASN . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.781 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.0 110.679 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 48' ' ' ILE . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 41' ' ' MET . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.732 HD13 HD13 ' A' ' 116' ' ' ILE . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.067 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 ' HE3' ' A' ' 51' ' ' LYS . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.407 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.972 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 26' ' ' VAL . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 45' ' ' LEU . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.591 ' CG ' HD13 ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' HE ' ' A' ' 29' ' ' ARG . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.426 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' HA2' ' A' ' 31' ' ' GLY . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.458 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 32' ' ' HIS . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo . . . . . 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.0 112.276 179.954 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 . . . . . 0 CA--C 1.528 0.109 0 CA-C-O 120.661 0.267 . . . . 0.0 110.819 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.974 HG21 HD11 ' A' ' 94' ' ' LEU . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.48 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' A' ' 25' ' ' VAL . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 HG13 ' A' ' 92' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.974 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.791 0.329 . . . . 0.0 111.238 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.442 ' O ' ' HE1' ' A' ' 41' ' ' MET . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.682 ' O ' HG21 ' A' ' 37' ' ' THR . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.369 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' MET . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.728 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.753 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.226 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 115' ' ' ILE . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.8 HG23 ' CE1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.972 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.963 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm . . . . . 0 CA--C 1.526 0.05 0 CA-C-O 120.867 0.365 . . . . 0.0 110.801 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.0 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.738 ' CD2' HD12 ' A' ' 60' ' ' LEU . 54.3 m80 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.066 HD12 HG22 ' A' ' 61' ' ' VAL . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.86 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 10' ' ' ASN . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 57' ' ' VAL . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.72 ' NH2' HD13 ' A' ' 60' ' ' LEU . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.722 ' HB3' HD11 ' A' ' 63' ' ' ILE . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' N ' ' A' ' 105' ' ' ALA . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.498 ' HE1' HG22 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.84 HG13 ' HA ' ' A' ' 109' ' ' LYS . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.36 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.814 HG12 HG12 ' A' ' 44' ' ' VAL . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.304 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.71 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.0 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.973 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 26' ' ' VAL . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.629 HD13 ' CD2' ' A' ' 45' ' ' LEU . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.738 HD12 ' CD2' ' A' ' 7' ' ' HIS . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 1.066 HG22 HD12 ' A' ' 8' ' ' LEU . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 ' HB3' ' A' ' 30' ' ' PHE . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 62' ' ' ASP . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo . . . . . 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.638 0.256 . . . . 0.0 110.792 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.0 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 94' ' ' LEU . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.526 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.705 ' HA ' HD12 ' A' ' 18' ' ' ILE . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.844 ' O ' HD13 ' A' ' 90' ' ' ILE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.844 HD13 ' O ' ' A' ' 89' ' ' HIS . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.629 ' O ' HD13 ' A' ' 102' ' ' ILE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.576 ' HA ' HG21 ' A' ' 102' ' ' ILE . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.727 HD22 ' HE2' ' A' ' 112' ' ' MET . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.821 0.343 . . . . 0.0 111.232 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 92' ' ' ILE . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.507 ' O ' HG21 ' A' ' 37' ' ' THR . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 37' ' ' THR . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.302 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.541 ' C ' HG22 ' A' ' 44' ' ' VAL . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.84 ' HA ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.822 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 48' ' ' ILE . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.098 -179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.783 0.325 . . . . 0.0 110.971 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 61' ' ' VAL . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 14' ' ' VAL . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 18' ' ' ILE . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 15' ' ' ASP . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.035 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 57' ' ' VAL . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 28' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.017 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 63' ' ' ILE . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.785 HG23 ' HB2' ' A' ' 105' ' ' ALA . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.578 ' HE2' ' HB1' ' A' ' 105' ' ' ALA . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 94' ' ' LEU . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.262 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.992 HD11 HG22 ' A' ' 113' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.0 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.617 ' HB3' ' CD2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.719 HD12 HD21 ' A' ' 94' ' ' LEU . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 8' ' ' LEU . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.202 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.843 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' A' ' 10' ' ' ASN . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo . . . . . 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.321 179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.723 0.297 . . . . 0.0 110.784 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.0 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.6 HG11 ' HG ' ' A' ' 94' ' ' LEU . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 111.265 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 91' ' ' MET . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.594 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.794 ' CD1' HD13 ' A' ' 28' ' ' ILE . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.797 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 89' ' ' HIS . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.676 ' C ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.676 HD12 ' C ' ' A' ' 91' ' ' MET . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.719 HD21 HD12 ' A' ' 58' ' ' ILE . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.817 0.342 . . . . 0.0 111.24 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 93' ' ' ASP . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.66 ' O ' HG21 ' A' ' 37' ' ' THR . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.785 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.281 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.782 ' O ' HD12 ' A' ' 116' ' ' ILE . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.992 HG22 HD11 ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 112' ' ' MET . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 115' ' ' ILE . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.394 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.617 ' CD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.163 0 CA-C-O 120.763 0.316 . . . . 0.0 110.919 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 42' ' ' ASP . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' ND2' ' A' ' 87' ' ' ASN . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 84' ' ' PHE . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' CB ' ' A' ' 105' ' ' ALA . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.866 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD1' HD21 ' A' ' 5' ' ' LEU . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.636 HG23 ' HG2' ' A' ' 109' ' ' LYS . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 45' ' ' LEU . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.3 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 116' ' ' ILE . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.0 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 45' ' ' LEU . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.738 ' HB3' HD23 ' A' ' 8' ' ' LEU . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 29' ' ' ARG . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.72 ' O ' HG12 ' A' ' 66' ' ' VAL . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 63' ' ' ILE . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.0 112.235 179.919 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.737 0.303 . . . . 0.0 110.88 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.0 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 80' ' ' THR . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' HD23 ' A' ' 94' ' ' LEU . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.786 ' HB2' HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.463 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' HD12 ' A' ' 19' ' ' LEU . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.438 ' N ' HD13 ' A' ' 90' ' ' ILE . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.461 ' HB3' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.866 HD22 ' CG ' ' A' ' 41' ' ' MET . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.941 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.833 0.349 . . . . 0.0 111.283 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 93' ' ' ASP . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.666 ' O ' HG21 ' A' ' 37' ' ' THR . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.299 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.636 ' HG2' HG23 ' A' ' 44' ' ' VAL . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.689 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 109' ' ' LYS . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.929 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.0 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.85 0.357 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.0 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.824 ' HB3' HG22 ' A' ' 14' ' ' VAL . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.787 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.438 ' HA ' HG11 ' A' ' 26' ' ' VAL . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' ' 25' ' ' VAL . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.631 HG23 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.0 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 57' ' ' VAL . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.022 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.759 ' HB ' HG23 ' A' ' 58' ' ' ILE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.75 ' HD2' HG22 ' A' ' 81' ' ' VAL . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.0 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 105' ' ' ALA . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 105' ' ' ALA . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.834 ' HG3' HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.645 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 48' ' ' ILE . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.801 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 58' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 44' ' ' VAL . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.769 HG11 ' CG2' ' A' ' 116' ' ' ILE . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.789 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.0 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.799 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.168 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 HD23 ' A' ' 45' ' ' LEU . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 60' ' ' LEU . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 59' ' ' TYR . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo . . . . . 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.279 -179.94 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 . . . . . 0 CA--C 1.528 0.105 0 CA-C-O 120.612 0.244 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 ' HD2' ' A' ' 29' ' ' ARG . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.497 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.769 HG22 HG12 ' A' ' 92' ' ' ILE . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.693 ' O ' HD13 ' A' ' 92' ' ' ILE . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 90' ' ' ILE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.834 HD11 ' HG3' ' A' ' 41' ' ' MET . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.789 0.328 . . . . 0.0 111.326 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.0 111.325 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 113' ' ' VAL . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.694 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 109' ' ' LYS . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . . . . . . . . . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.626 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.769 ' CG2' HG11 ' A' ' 52' ' ' VAL . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.16 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 25' ' ' VAL . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.987 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.825 0.345 . . . . 0.0 110.87 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.0 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 2.1 t60 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 14' ' ' VAL . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.808 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.8 m-80 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.588 HD12 ' ND2' ' A' ' 87' ' ' ASN . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.816 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.401 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.744 HG22 ' CE2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.628 HG21 ' O ' ' A' ' 103' ' ' ASN . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 94' ' ' LEU . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 5' ' ' LEU . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.87 HG12 HG12 ' A' ' 48' ' ' ILE . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.824 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.051 HD11 HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.87 HG12 HG12 ' A' ' 44' ' ' VAL . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 55' ' ' PHE . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.334 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 52' ' ' VAL . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.816 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.636 HG13 HG23 ' A' ' 26' ' ' VAL . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 1.051 HD13 HD11 ' A' ' 45' ' ' LEU . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.585 ' C ' HD22 ' A' ' 60' ' ' LEU . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 29' ' ' ARG . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.547 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 9' ' ' HIS . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo . . . . . 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.613 0.244 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.0 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.574 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.913 HG11 ' HG ' ' A' ' 94' ' ' LEU . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.248 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 27' ' ' VAL . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.588 ' ND2' HD12 ' A' ' 19' ' ' LEU . 9.9 m-80 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 90' ' ' ILE . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.73 HG23 ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.509 ' HA ' HG13 ' A' ' 81' ' ' VAL . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.913 ' HG ' HG11 ' A' ' 81' ' ' VAL . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.797 ' C ' HD11 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt . . . . . 0 N--CA 1.457 -0.106 0 CA-C-O 120.845 0.355 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.797 HD11 ' C ' ' A' ' 95' ' ' GLY . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' HG21 ' A' ' 37' ' ' THR . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.234 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.438 ' H ' HG11 ' A' ' 44' ' ' VAL . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.774 ' SD ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.359 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.801 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 115' ' ' ILE . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.006 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.809 0.337 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 45' ' ' LEU . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.587 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.874 HG22 HD23 ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' HD22 ' A' ' 19' ' ' LEU . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 59' ' ' TYR . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.272 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.71 HD12 ' CG ' ' A' ' 87' ' ' ASN . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HE ' HG23 ' A' ' 25' ' ' VAL . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 57' ' ' VAL . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.765 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.517 ' NH2' HD11 ' A' ' 60' ' ' LEU . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HB2' HG23 ' A' ' 80' ' ' THR . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.0 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 105' ' ' ALA . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.799 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.618 ' OD1' HD13 ' A' ' 5' ' ' LEU . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 48' ' ' ILE . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.916 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.657 HG12 HG22 ' A' ' 44' ' ' VAL . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.439 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 26' ' ' VAL . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HE1' ' A' ' 41' ' ' MET . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 8' ' ' LEU . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.551 HG22 HD22 ' A' ' 8' ' ' LEU . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 62' ' ' ASP . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 95.3 Cg_exo . . . . . 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.0 112.831 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.657 0.265 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.0 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 30' ' ' PHE . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.729 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 HD22 ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 28' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.577 ' CE1' HG13 ' A' ' 25' ' ' VAL . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 19' ' ' LEU . 1.1 t-20 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 HD11 ' A' ' 92' ' ' ILE . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.452 ' CB ' HD11 ' A' ' 102' ' ' ILE . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.798 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.897 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm . . . . . 0 C--O 1.232 0.164 0 CA-C-O 120.778 0.323 . . . . 0.0 111.233 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 93' ' ' ASP . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 37' ' ' THR . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.447 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.0 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.65 ' C ' HG21 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.222 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.579 ' HG2' HG23 ' A' ' 44' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.0 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 94' ' ' LEU . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 48' ' ' ILE . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.0 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 112' ' ' MET . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 112' ' ' MET . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.808 0.337 . . . . 0.0 110.925 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 45' ' ' LEU . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.0 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 15.2 p80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.806 HD13 ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 10' ' ' ASN . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HA ' HG11 ' A' ' 26' ' ' VAL . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE1' HG21 ' A' ' 57' ' ' VAL . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 111.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.135 HG13 HG23 ' A' ' 57' ' ' VAL . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.78 ' C ' HD13 ' A' ' 28' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.0 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.825 HG23 ' CB ' ' A' ' 105' ' ' ALA . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 94' ' ' LEU . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.74 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.0 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.761 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 120' ' ' TYR . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.434 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HD3' HD21 ' A' ' 5' ' ' LEU . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.339 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.135 HG23 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.155 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.751 HG23 ' HB ' ' A' ' 27' ' ' VAL . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.806 ' CD2' HD13 ' A' ' 8' ' ' LEU . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.511 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo . . . . . 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.0 112.473 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 . . . . . 0 CA--C 1.527 0.085 0 CA-C-O 120.718 0.294 . . . . 0.0 110.896 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.605 HG12 ' HB ' ' A' ' 102' ' ' ILE . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 81' ' ' VAL . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD2' HD12 ' A' ' 92' ' ' ILE . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' ILE . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.707 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 89' ' ' HIS . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.989 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.589 HD13 ' CG2' ' A' ' 119' ' ' VAL . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 102' ' ' ILE . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.823 HD22 ' HE3' ' A' ' 112' ' ' MET . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.927 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.826 0.346 . . . . 0.0 111.359 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.605 ' HB ' HG12 ' A' ' 81' ' ' VAL . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.021 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' HG21 ' A' ' 37' ' ' THR . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.825 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.703 ' HD2' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 109' ' ' LYS . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.491 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.0 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.589 ' CG2' HD13 ' A' ' 92' ' ' ILE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.492 ' CE2' HG11 ' A' ' 52' ' ' VAL . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 120.816 0.341 . . . . 0.0 110.905 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.0 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.029 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 14' ' ' VAL . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 57' ' ' VAL . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 83' ' ' PHE . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.622 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.426 HH12 HD11 ' A' ' 45' ' ' LEU . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 63' ' ' ILE . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' O ' ' A' ' 103' ' ' ASN . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.0 110.786 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.691 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.532 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.839 HG21 ' HB2' ' A' ' 108' ' ' ASP . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.433 ' N ' HD12 ' A' ' 48' ' ' ILE . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 120' ' ' TYR . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.773 ' N ' HD13 ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.97 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.064 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 62' ' ' ASP . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo . . . . . 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.0 112.259 179.983 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 CA--C 1.529 0.163 0 CA-C-O 120.589 0.233 . . . . 0.0 110.8 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 82' ' ' MET . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.362 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 81' ' ' VAL . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.75 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 90' ' ' ILE . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.622 ' HD1' HD13 ' A' ' 28' ' ' ILE . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.997 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 83' ' ' PHE . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 83' ' ' PHE . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.678 HD21 ' HG3' ' A' ' 41' ' ' MET . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.506 179.954 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.457 -0.109 0 CA-C-O 120.829 0.347 . . . . 0.0 111.275 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 94' ' ' LEU . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.556 ' O ' HG21 ' A' ' 37' ' ' THR . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.05 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.839 ' HB2' HG21 ' A' ' 44' ' ' VAL . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.605 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.612 ' O ' HD12 ' A' ' 116' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 109' ' ' LYS . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.025 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.872 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 25' ' ' VAL . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.783 0.325 . . . . 0.0 110.962 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.0 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 13' ' ' GLN . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 14' ' ' VAL . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.514 ' HB3' HD13 ' A' ' 8' ' ' LEU . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 87' ' ' ASN . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.564 ' CD2' HG23 ' A' ' 18' ' ' ILE . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HA ' HG21 ' A' ' 57' ' ' VAL . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' HG23 ' A' ' 25' ' ' VAL . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.342 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.847 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.0 111.498 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.859 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.526 ' SD ' HD13 ' A' ' 94' ' ' LEU . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.625 ' OD2' HD13 ' A' ' 5' ' ' LEU . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.924 HG21 ' CB ' ' A' ' 108' ' ' ASP . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 44' ' ' VAL . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 52' ' ' VAL . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HD2' HG13 ' A' ' 113' ' ' VAL . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 1.034 HG12 HG21 ' A' ' 116' ' ' ILE . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.0 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ILE . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo . . . . . 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.0 112.384 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.68 0.276 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.0 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.844 ' CG1' HD13 ' A' ' 102' ' ' ILE . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.716 ' HB2' HG13 ' A' ' 26' ' ' VAL . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.744 ' HA ' HD11 ' A' ' 18' ' ' ILE . 10.8 t-20 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 15.3 m170 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 83' ' ' PHE . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.577 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.97 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.457 -0.079 0 CA-C-O 120.809 0.338 . . . . 0.0 111.264 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.844 HD13 ' CG1' ' A' ' 81' ' ' VAL . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.71 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.924 ' CB ' HG21 ' A' ' 44' ' ' VAL . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.683 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.692 ' O ' HD12 ' A' ' 116' ' ' ILE . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 109' ' ' LYS . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 1.034 HG21 HG12 ' A' ' 52' ' ' VAL . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.143 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 . . . . . 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.8 0.334 . . . . 0.0 110.911 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 45' ' ' LEU . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.0 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 49.3 m170 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.803 HD12 HG22 ' A' ' 61' ' ' VAL . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.605 HG21 ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 19' ' ' LEU . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 ' HB2' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.0 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.876 HG13 ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 27' ' ' VAL . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.889 ' NH2' HD11 ' A' ' 94' ' ' LEU . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.0 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 105' ' ' ALA . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.737 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.622 ' SD ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.955 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.922 HG12 HG12 ' A' ' 48' ' ' ILE . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.258 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.922 HG12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.319 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HG3' HG22 ' A' ' 52' ' ' VAL . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.374 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 51' ' ' LYS . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.747 HG23 HG23 ' A' ' 26' ' ' VAL . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 45' ' ' LEU . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.803 HG22 HD12 ' A' ' 8' ' ' LEU . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 ' CD1' ' A' ' 30' ' ' PHE . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG23 ' A' ' 66' ' ' VAL . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.647 HG23 ' HG3' ' A' ' 65' ' ' GLU . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo . . . . . 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.184 -179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 . . . . . 0 CA--C 1.528 0.13 0 CA-C-O 120.556 0.217 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 82' ' ' MET . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.498 ' N ' HG12 ' A' ' 81' ' ' VAL . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.876 ' CE1' HG13 ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.753 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.583 ' HD2' HG13 ' A' ' 25' ' ' VAL . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 83' ' ' PHE . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.221 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.721 ' OD2' HD13 ' A' ' 102' ' ' ILE . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.658 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.889 HD11 ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.467 -179.995 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp . . . . . 0 N--CA 1.456 -0.139 0 CA-C-O 120.811 0.339 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.721 HD13 ' OD2' ' A' ' 93' ' ' ASP . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.648 ' O ' HG21 ' A' ' 37' ' ' THR . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.365 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB3' HG23 ' A' ' 37' ' ' THR . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.0 111.496 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.842 ' OD1' HG13 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 113' ' ' VAL . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.0 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.705 ' CG ' HG11 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 48' ' ' ILE . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.257 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 48' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 115' ' ' ILE . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.761 0.315 . . . . 0.0 110.933 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 61' ' ' VAL . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.881 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.773 ' HA ' HD12 ' A' ' 18' ' ' ILE . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 15' ' ' ASP . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.037 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 57' ' ' VAL . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 28' ' ' ILE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 27' ' ' VAL . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.616 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 63' ' ' ILE . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.581 HG23 ' HB2' ' A' ' 105' ' ' ALA . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.474 ' HE2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.884 ' O ' HG22 ' A' ' 48' ' ' ILE . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 42' ' ' ASP . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.997 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.806 ' CE1' HD23 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.797 ' CG1' HG21 ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.983 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 26' ' ' VAL . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG11 ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HG22 ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.616 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 8' ' ' LEU . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 66' ' ' VAL . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 30' ' ' PHE . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 62' ' ' ASP . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo . . . . . 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.0 112.322 179.983 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.848 0.356 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.0 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.819 HG21 HD11 ' A' ' 94' ' ' LEU . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.441 ' N ' HG12 ' A' ' 81' ' ' VAL . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.0 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.639 ' CD1' HG23 ' A' ' 119' ' ' VAL . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.336 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.622 HD13 HD11 ' A' ' 115' ' ' ILE . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 81' ' ' VAL . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.572 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.811 0.339 . . . . 0.0 111.253 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' HG21 ' A' ' 37' ' ' THR . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.209 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 44' ' ' VAL . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.41 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.578 ' N ' HG11 ' A' ' 44' ' ' VAL . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 111.153 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.848 ' O ' HD12 ' A' ' 116' ' ' ILE . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.622 HD11 HD13 ' A' ' 92' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.736 0.303 . . . . 0.0 110.954 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.255 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.035 HD13 HG22 ' A' ' 14' ' ' VAL . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.892 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.035 HG22 HD13 ' A' ' 8' ' ' LEU . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 87' ' ' ASN . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 19' ' ' LEU . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 57' ' ' VAL . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.0 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 57' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE1' HG11 ' A' ' 61' ' ' VAL . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.0 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 103' ' ' ASN . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.573 ' CE ' HG22 ' A' ' 102' ' ' ILE . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.845 ' O ' HG22 ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 94' ' ' LEU . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.495 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.455 ' HB2' HD11 ' A' ' 5' ' ' LEU . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 58' ' ' ILE . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' HG12 ' A' ' 25' ' ' VAL . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.588 HD12 ' C ' ' A' ' 57' ' ' VAL . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.503 ' N ' HG22 ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.868 HG22 HD12 ' A' ' 8' ' ' LEU . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 63' ' ' ILE . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo . . . . . 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.0 112.423 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.648 0.261 . . . . 0.0 110.928 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.0 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.716 HG21 ' CD1' ' A' ' 94' ' ' LEU . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.49 ' N ' HG12 ' A' ' 81' ' ' VAL . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.833 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.834 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.542 ' ND2' HD12 ' A' ' 19' ' ' LEU . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 13.3 t-160 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.716 ' CD1' HG21 ' A' ' 81' ' ' VAL . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.428 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt . . . . . 0 C--O 1.232 0.152 0 CA-C-O 120.799 0.333 . . . . 0.0 111.21 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.573 HG22 ' CE ' ' A' ' 41' ' ' MET . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 37' ' ' THR . 2.6 p-10 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.0 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.891 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.75 ' SD ' HG21 ' A' ' 48' ' ' ILE . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 109' ' ' LYS . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 110.586 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 115' ' ' ILE . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.818 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 5' ' ' LEU . 2.1 ptm . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.814 0.34 . . . . 0.0 110.966 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 42' ' ' ASP . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.0 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.92 HD11 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' VAL . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CZ3' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 10' ' ' ASN . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . 0.437 ' NE2' ' CZ3' ' A' ' 12' ' ' TRP . 5.2 mt-30 -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . 0.655 ' HB2' HG12 ' A' ' 57' ' ' VAL . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.887 HG11 HG12 ' A' ' 119' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 57' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.698 ' O ' HD13 ' A' ' 28' ' ' ILE . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.464 ' NE ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG23 ' A' ' 63' ' ' ILE . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.0 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 103' ' ' ASN . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.006 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' HG22 ' A' ' 37' ' ' THR . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' HA ' HD21 ' A' ' 5' ' ' LEU . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 HG12 ' A' ' 48' ' ' ILE . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.529 HD22 HD13 ' A' ' 58' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.799 HG12 HG12 ' A' ' 44' ' ' VAL . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.471 HG11 HG22 ' A' ' 116' ' ' ILE . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.574 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 26' ' ' VAL . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 111.458 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.604 HG23 ' HB ' ' A' ' 27' ' ' VAL . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.92 HG22 HD11 ' A' ' 8' ' ' LEU . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 30' ' ' PHE . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 9' ' ' HIS . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 66' ' ' VAL . 72.9 Cg_endo . . . . . 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.37 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.0 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 82' ' ' MET . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.739 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.428 ' N ' HG12 ' A' ' 81' ' ' VAL . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.409 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CD2' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.842 ' HB3' HD11 ' A' ' 90' ' ' ILE . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.842 HD11 ' HB3' ' A' ' 85' ' ' PHE . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.98 HD12 ' CD2' ' A' ' 83' ' ' PHE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.037 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.516 HD13 ' HE3' ' A' ' 112' ' ' MET . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA3' HD11 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? . . . . . 0 N--CA 1.456 -0.168 0 CA-C-O 120.837 0.351 . . . . 0.0 111.363 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.468 HD11 ' HA3' ' A' ' 95' ' ' GLY . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' HG21 ' A' ' 37' ' ' THR . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 111.087 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' LYS . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.895 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.887 HG12 HG11 ' A' ' 25' ' ' VAL . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.45 ' CD2' HG12 ' A' ' 52' ' ' VAL . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.98 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE3' ' CE2' ' A' ' 46' ' ' TYR . 16.4 ptp . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.794 0.33 . . . . 0.0 110.888 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 42' ' ' ASP . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.0 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 14' ' ' VAL . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' HD23 ' A' ' 8' ' ' LEU . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 84' ' ' PHE . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.0 111.661 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 57' ' ' VAL . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' A' ' 58' ' ' ILE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 27' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.861 ' CG ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' HD11 ' A' ' 63' ' ' ILE . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 105' ' ' ALA . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.744 ' SD ' HD22 ' A' ' 94' ' ' LEU . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.422 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 5' ' ' LEU . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.463 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.124 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.466 ' CE2' ' HE3' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.926 HD11 HG22 ' A' ' 113' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 49' ' ' ALA . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.577 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 26' ' ' VAL . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.716 HG23 ' HB ' ' A' ' 27' ' ' VAL . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.695 ' C ' HD22 ' A' ' 60' ' ' LEU . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 59' ' ' TYR . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 61' ' ' VAL . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 30' ' ' PHE . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 10' ' ' ASN . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 66' ' ' VAL . 55.9 Cg_endo . . . . . 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.0 112.265 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 . . . . . 0 CA--C 1.527 0.074 0 CA-C-O 120.654 0.264 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 92' ' ' ILE . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 18' ' ' ILE . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.834 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.586 -179.912 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm . . . . . 0 N--CA 1.457 -0.12 0 CA-C-O 120.811 0.338 . . . . 0.0 111.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' VAL . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.0 111.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 37' ' ' THR . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.659 ' HA ' HG21 ' A' ' 44' ' ' VAL . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.282 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.239 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.857 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.926 HG22 HD11 ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.8 HG12 HG11 ' A' ' 25' ' ' VAL . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 . . . . . 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 -179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.881 0.372 . . . . 0.0 110.813 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 14' ' ' VAL . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 66' ' ' VAL . 1.5 t60 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 8' ' ' LEU . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.779 ' HB ' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.678 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HD2' HD22 ' A' ' 60' ' ' LEU . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 105' ' ' ALA . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.706 ' SD ' HD21 ' A' ' 94' ' ' LEU . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 109' ' ' LYS . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.012 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.387 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 116' ' ' ILE . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.201 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.779 HG23 ' HB ' ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.636 ' CB ' HG23 ' A' ' 27' ' ' VAL . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 8' ' ' LEU . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' HD2' ' A' ' 29' ' ' ARG . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 9' ' ' HIS . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo . . . . . 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.0 112.436 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 120.689 0.28 . . . . 0.0 110.951 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 30' ' ' PHE . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.751 HG11 HD23 ' A' ' 94' ' ' LEU . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.612 ' CD2' HD12 ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 92' ' ' ILE . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . 0.787 ' O ' HD13 ' A' ' 92' ' ' ILE . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 91' ' ' MET . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.751 HD23 HG11 ' A' ' 81' ' ' VAL . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' LEU . . . . . . . . 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt . . . . . 0 N--CA 1.456 -0.132 0 CA-C-O 120.802 0.334 . . . . 0.0 111.261 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.543 HD13 ' HB ' ' A' ' 81' ' ' VAL . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.678 ' H ' HG23 ' A' ' 37' ' ' THR . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.323 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.634 ' O ' HD12 ' A' ' 116' ' ' ILE . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.643 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' HE3' ' A' ' 51' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 119' ' ' VAL . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 48' ' ' ILE . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.252 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 115' ' ' ILE . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . 0.414 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? . . . . . 0 C--O 1.23 0.069 0 CA-C-O 120.736 0.303 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 60' ' ' LEU . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.0 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.72 ' O ' HG22 ' A' ' 66' ' ' VAL . 2.8 m-70 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.836 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.775 ' HB3' HD23 ' A' ' 8' ' ' LEU . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 10' ' ' ASN . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 18' ' ' ILE . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 15' ' ' ASP . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.65 HG21 HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 111.342 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 57' ' ' VAL . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.09 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' A' ' 58' ' ' ILE . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.808 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.006 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 63' ' ' ILE . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.0 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.896 HG23 ' HB2' ' A' ' 105' ' ' ALA . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' HG2' ' A' ' 29' ' ' ARG . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.563 ' OD1' HD22 ' A' ' 5' ' ' LEU . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.407 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 40' ' ' LYS . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.34 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.836 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 111.228 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG3' HG13 ' A' ' 52' ' ' VAL . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.204 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 51' ' ' LYS . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.414 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 26' ' ' VAL . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.688 HG21 ' CD1' ' A' ' 45' ' ' LEU . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' ILE . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD13 ' A' ' 8' ' ' LEU . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 30' ' ' PHE . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo . . . . . 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.0 112.341 -179.912 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 . . . . . 0 CA--C 1.529 0.168 0 CA-C-O 120.516 0.198 . . . . 0.0 110.847 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' LEU . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.468 ' HA ' HG22 ' A' ' 92' ' ' ILE . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 90' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 28' ' ' ILE . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 25' ' ' VAL . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 5.1 t60 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.474 HG13 HD11 ' A' ' 115' ' ' ILE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 115' ' ' ILE . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.919 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt . . . . . 0 N--CA 1.454 -0.232 0 CA-C-O 120.734 0.302 . . . . 0.0 111.387 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' A' ' 94' ' ' LEU . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.265 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . 0.426 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.278 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.632 ' HE2' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 48' ' ' ILE . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.591 ' CD1' HD12 ' A' ' 48' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 115' ' ' ILE . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.0 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.793 0.33 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 ' CG ' ' A' ' 42' ' ' ASP . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.712 HD22 HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.788 ' O ' HG22 ' A' ' 66' ' ' VAL . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.819 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 18' ' ' ILE . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 19' ' ' LEU . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 18' ' ' ILE . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.0 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 57' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.843 ' HB2' HG23 ' A' ' 81' ' ' VAL . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.43 HG22 ' CZ ' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.603 ' O ' HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.587 ' CE ' HD21 ' A' ' 60' ' ' LEU . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . 0.567 ' CG ' HD23 ' A' ' 5' ' ' LEU . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 48' ' ' ILE . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 44' ' ' VAL . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.259 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 52' ' ' VAL . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' HG3' ' A' ' 51' ' ' LYS . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.444 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.878 HG23 HG13 ' A' ' 26' ' ' VAL . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 41' ' ' MET . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.0 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.587 HD21 ' CE ' ' A' ' 41' ' ' MET . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.707 HG13 HG21 ' A' ' 66' ' ' VAL . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 9' ' ' HIS . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo . . . . . 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.0 112.389 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 . . . . . 0 CA--C 1.528 0.116 0 CA-C-O 120.696 0.284 . . . . 0.0 110.794 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.0 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD23 ' A' ' 94' ' ' LEU . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.505 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' VAL . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.752 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m80 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 89' ' ' HIS . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.768 HG21 ' CG2' ' A' ' 119' ' ' VAL . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.181 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.439 ' CG ' HG13 ' A' ' 81' ' ' VAL . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.852 HD23 HG21 ' A' ' 81' ' ' VAL . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.546 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . . . . . . 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp . . . . . 0 C--O 1.232 0.159 0 CA-C-O 120.841 0.353 . . . . 0.0 111.246 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.546 HG21 ' HA3' ' A' ' 95' ' ' GLY . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' HG21 ' A' ' 37' ' ' THR . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' HG21 ' A' ' 44' ' ' VAL . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.77 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.0 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 92' ' ' ILE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.949 -179.904 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.463 0.208 0 CA-C-O 120.588 0.233 . . . . 0.0 111.173 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.254 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.0 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.061 HD23 HG22 ' A' ' 14' ' ' VAL . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASN . . . . . 0.835 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 1.061 HG22 HD23 ' A' ' 8' ' ' LEU . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 18' ' ' ILE . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 15' ' ' ASP . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.987 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 57' ' ' VAL . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.311 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.695 ' O ' HD13 ' A' ' 28' ' ' ILE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.254 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.563 ' NH1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.618 ' SG ' HD12 ' A' ' 60' ' ' LEU . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.856 ' SD ' HD22 ' A' ' 94' ' ' LEU . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 110.496 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' VAL . . . . . 0.882 HG22 HG12 ' A' ' 48' ' ' ILE . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.904 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 58' ' ' ILE . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.197 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.882 HG12 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 111.483 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.0 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.958 HD13 HD11 ' A' ' 45' ' ' LEU . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.852 ' CD2' HD12 ' A' ' 5' ' ' LEU . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.995 HG22 HD22 ' A' ' 8' ' ' LEU . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 66' ' ' VAL . 60.7 Cg_endo . . . . . 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.0 112.311 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 . . . . . 0 CA--C 1.529 0.148 0 CA-C-O 120.493 0.187 . . . . 0.0 110.769 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.0 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' CYS . . . . . 0.468 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 102' ' ' ILE . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.767 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 81' ' ' VAL . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 26' ' ' VAL . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' HIS . . . . . 0.611 ' O ' HD13 ' A' ' 90' ' ' ILE . 12.8 m80 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 89' ' ' HIS . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ILE . . . . . 0.993 HD11 ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ASP . . . . . 0.509 ' CG ' HD11 ' A' ' 102' ' ' ILE . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.856 HD22 ' SD ' ' A' ' 41' ' ' MET . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 94' ' ' LEU . . . . . . . . 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm . . . . . 0 N--CA 1.456 -0.15 0 CA-C-O 120.821 0.343 . . . . 0.0 111.285 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ILE . . . . . 0.652 HG21 ' HG ' ' A' ' 94' ' ' LEU . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . 0.628 ' H ' HG23 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LYS . . . . . 0.671 ' H ' HG21 ' A' ' 44' ' ' VAL . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' MET . . . . . 0.697 ' O ' HD12 ' A' ' 116' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 109' ' ' LYS . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.05 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.0 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 N--CA 1.486 1.351 0 CA-C-O 120.796 0.331 . . . . 0.0 111.189 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.8 m-85 60.38 -175.68 0.11 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.888 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -86.06 -65.85 0.97 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.89 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.608 HD11 HD12 ' A' ' 45' ' ' LEU . 4.5 mm? -49.87 105.25 0.49 Allowed Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.229 -179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 45.5 Cg_exo -56.6 134.66 65.78 Favored 'Trans proline' 0 C--N 1.347 0.457 0 C-N-CA 122.481 2.121 . . . . 0.0 112.277 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.406 ' CD2' ' O ' ' A' ' 5' ' ' LEU . 9.9 m-70 -110.02 -169.33 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD21 ' O ' ' A' ' 13' ' ' GLN . 2.6 tp -175.84 134.06 0.28 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.838 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.446 ' CD2' ' HG3' ' A' ' 65' ' ' GLU . 16.4 m80 -149.39 76.31 1.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.977 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.81 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -177.96 135.83 0.17 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.853 179.959 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.48 -30.62 65.31 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.481 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.5 m95 -74.76 -38.45 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.783 0.325 . . . . 0.0 110.816 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.447 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 33.0 mt-30 -77.59 -35.55 52.78 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.81 HG23 ' O ' ' A' ' 10' ' ' ASN . 33.6 t -73.94 -54.32 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.091 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.74 -27.13 66.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.02 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 33.3 tt0 -90.06 -34.69 15.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.945 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.447 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -63.86 -41.47 97.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.245 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.444 ' CD1' ' CD2' ' A' ' 84' ' ' PHE . 9.7 tt -56.96 -42.26 78.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.208 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.657 HD23 ' O ' ' A' ' 19' ' ' LEU . 4.9 tt -90.01 -20.44 23.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.3 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 57.7 m -90.21 40.59 1.01 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.521 -0.308 . . . . 0.0 111.413 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.1 mt-10 -63.89 -61.23 2.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 0.0 110.692 179.747 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 56.67 36.79 28.17 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.138 179.813 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -155.89 -74.52 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.027 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.404 ' HB2' ' O ' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -165.12 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.57 0 CA-C-N 115.994 -0.548 . . . . 0.0 110.999 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.655 HG13 ' N ' ' A' ' 26' ' ' VAL . 0.5 OUTLIER -118.46 -166.55 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.124 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.848 HG23 ' O ' ' A' ' 57' ' ' VAL . 7.7 p -163.55 133.3 0.74 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.731 0 CA-C-N 115.763 -0.653 . . . . 0.0 111.206 179.722 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.741 HG22 ' CE2' ' A' ' 83' ' ' PHE . 89.6 t -108.56 146.13 14.68 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.946 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.63 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.7 mp -142.29 134.25 26.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.154 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.838 ' HG3' HG22 ' A' ' 81' ' ' VAL . 13.9 ttm180 -115.6 136.4 53.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.934 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 35.8 m-85 -119.4 124.34 46.32 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 175.62 -135.72 3.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -127.54 150.22 49.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.81 0.338 . . . . 0.0 110.954 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -60.45 -36.09 77.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.8 OUTLIER -100.36 31.34 3.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -88.37 138.6 30.25 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.776 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 43.3 Cg_endo -68.02 -47.83 1.62 Allowed 'Trans proline' 0 C--N 1.346 0.397 0 C-N-CA 122.577 2.185 . . . . 0.0 112.294 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.743 HG23 ' HB2' ' A' ' 105' ' ' ALA . 67.0 m -55.36 -31.1 61.48 Favored 'General case' 0 N--CA 1.452 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 49.9 t -75.23 -36.28 61.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.008 -0.542 . . . . 0.0 110.9 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -60.19 -40.36 89.78 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.827 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.7 mtpp -69.59 -50.66 42.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.492 ' SD ' HD12 ' A' ' 94' ' ' LEU . 34.0 mmt -59.0 -46.48 88.07 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.862 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -58.39 -38.86 78.18 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -58.19 -38.7 77.22 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.612 179.863 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.534 ' HB ' ' HE3' ' A' ' 112' ' ' MET . 6.9 t -74.13 -39.99 50.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.687 179.741 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.701 HD11 HD13 ' A' ' 58' ' ' ILE . 0.6 OUTLIER -48.29 -49.12 35.0 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 115.907 -0.588 . . . . 0.0 111.371 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.503 ' CZ ' HD23 ' A' ' 5' ' ' LEU . 50.2 m-85 -54.45 -32.61 57.95 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.356 -0.383 . . . . 0.0 111.285 -179.781 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.15 -25.15 20.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.385 -179.666 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.711 ' O ' HD12 ' A' ' 48' ' ' ILE . 2.3 pp -117.23 33.64 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.771 0.32 . . . . 0.0 111.52 -179.691 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.32 -82.21 0.5 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.165 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -52.76 -24.41 8.75 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.408 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 36.6 mttp -49.72 -34.05 17.74 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.552 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.461 HG12 ' CD1' ' A' ' 55' ' ' PHE . 2.6 t -148.99 20.69 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.465 -179.771 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.89 -30.05 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.857 0.361 . . . . 0.0 111.396 -179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 32.5 m-20 -60.73 -21.53 63.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.506 -179.635 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.461 ' CD1' HG12 ' A' ' 52' ' ' VAL . 4.1 m-85 -106.84 -49.18 3.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.128 0.489 . . . . 0.0 110.975 -179.815 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.528 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -101.27 154.9 18.37 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.795 -0.639 . . . . 0.0 111.257 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.848 ' O ' HG23 ' A' ' 26' ' ' VAL . 7.4 p -137.77 96.71 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.701 HD13 HD11 ' A' ' 45' ' ' LEU . 14.6 tt -77.28 163.02 4.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.174 -179.788 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.684 ' CE2' HG22 ' A' ' 57' ' ' VAL . 37.4 m-85 -160.3 120.71 2.92 Favored 'General case' 0 N--CA 1.446 -0.658 0 CA-C-N 116.361 -0.382 . . . . 0.0 110.942 179.623 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.483 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 4.4 mm? -74.0 151.75 40.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.874 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 19.9 t -152.1 138.2 11.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.861 ' O ' HG12 ' A' ' 66' ' ' VAL . 0.6 OUTLIER -105.98 138.13 42.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.827 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.589 ' HB ' HD21 ' A' ' 75' ' ' LEU . 17.5 mt -77.86 56.07 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.115 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 57.2 m -159.13 -44.98 0.06 Allowed 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.514 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' HG3' ' CD2' ' A' ' 9' ' ' HIS . 4.1 pm0 -90.1 -28.7 18.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.921 179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.861 HG12 ' O ' ' A' ' 62' ' ' ASP . 13.4 p -82.94 112.28 36.81 Favored Pre-proline 0 C--N 1.331 -0.217 0 CA-C-N 116.47 -0.332 . . . . 0.0 111.096 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_endo -74.69 60.06 5.09 Favored 'Trans proline' 0 C--N 1.346 0.395 0 C-N-CA 122.475 2.117 . . . . 0.0 112.42 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -90.06 54.04 2.69 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 60.63 98.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.981 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.1 p-10 -88.63 -33.82 17.5 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.912 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 1.5 tptt 67.95 -69.24 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.953 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -176.62 -40.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.945 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 15.0 m-85 -144.13 30.96 1.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -47.89 -31.75 5.47 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.235 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.589 HD21 ' HB ' ' A' ' 63' ' ' ILE . 1.7 mt -74.43 142.3 44.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.895 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.451 ' CD1' ' N ' ' A' ' 77' ' ' ASP . 37.3 p90 -177.15 -39.84 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . 0.451 ' N ' ' CD1' ' A' ' 76' ' ' TYR . 9.1 t70 -85.87 142.05 36.29 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.973 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.8 Cg_exo -54.22 -62.26 0.32 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.458 2.105 . . . . 0.0 112.283 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -158.71 170.03 23.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.3 t -177.35 154.22 1.0 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.915 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.838 HG22 ' HG3' ' A' ' 29' ' ' ARG . 21.5 t -115.76 159.18 15.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.131 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.489 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.0 OUTLIER -151.92 148.89 28.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.983 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.741 ' CE2' HG22 ' A' ' 27' ' ' VAL . 5.0 m-85 -116.34 149.27 39.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.766 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.693 ' HB2' HG13 ' A' ' 26' ' ' VAL . 11.5 m-85 -129.84 136.8 49.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.936 -179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.559 ' HB2' HG23 ' A' ' 25' ' ' VAL . 23.8 t80 -147.59 147.98 30.64 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.791 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER 52.85 30.59 9.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 35.7 t30 63.72 32.26 13.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.785 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 11.0 mttm -129.99 155.59 45.86 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.811 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.418 ' HA ' ' CE2' ' A' ' 84' ' ' PHE . 16.3 p-80 -87.32 115.73 24.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.906 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 24.8 mt -120.01 132.08 70.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 4.5 ptm -82.77 102.19 11.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.653 HD13 HG13 ' A' ' 119' ' ' VAL . 36.3 mt -132.56 117.75 32.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.072 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.614 ' CB ' HG23 ' A' ' 96' ' ' THR . 1.5 p30 -76.76 143.59 39.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.006 -179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.748 ' CD1' HG21 ' A' ' 81' ' ' VAL . 16.0 mt -60.41 -30.47 69.63 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.768 179.818 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 175.38 70.6 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.356 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.614 HG23 ' CB ' ' A' ' 93' ' ' ASP . 0.8 OUTLIER -58.72 127.12 30.58 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.972 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -95.26 -27.72 10.53 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.384 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.1 m-80 -139.74 -51.84 0.51 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.878 0.37 . . . . 0.0 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 8.2 p-10 -177.69 175.43 1.37 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 62.7 146.9 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.967 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.4 mmmt -50.0 176.0 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.294 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.447 HD12 ' OE1' ' A' ' 107' ' ' GLU . 26.0 mm -89.02 79.29 1.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.127 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.624 ' O ' HG21 ' A' ' 37' ' ' THR . 4.9 m120 -97.59 -31.15 12.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.735 179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.2 m-90 -92.67 -17.05 24.8 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.121 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.743 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 67.06 115.42 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.828 0.347 . . . . 0.0 111.155 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.4 ttt -177.73 102.67 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.764 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.447 ' OE1' HD12 ' A' ' 102' ' ' ILE . 1.2 pt-20 179.5 -35.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.132 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.47 ' HA ' HG22 ' A' ' 44' ' ' VAL . 2.5 m-20 62.47 -157.06 0.33 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.66 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.61 ' O ' HG23 ' A' ' 113' ' ' VAL . 9.7 pttt -79.67 5.27 13.72 Favored 'General case' 0 CA--C 1.53 0.189 0 N-CA-C 111.95 0.352 . . . . 0.0 111.95 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -90.16 -75.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.869 0.366 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.4 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.26 -28.18 62.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 -179.877 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.838 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -68.06 -58.19 4.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.923 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 109' ' ' LYS . 77.9 t -47.89 -38.1 6.84 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 120.875 0.369 . . . . 0.0 110.814 179.775 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -64.97 -50.79 65.0 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.052 179.901 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.837 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.7 tp -66.78 -47.7 82.09 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-O 120.934 0.397 . . . . 0.0 111.318 -179.76 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.838 HD12 ' C ' ' A' ' 112' ' ' MET . 3.6 mt -59.23 -33.53 51.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.103 -179.519 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -67.24 -38.21 84.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.949 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.1 -27.86 32.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.206 -179.894 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.837 HG23 ' O ' ' A' ' 115' ' ' ILE . 32.9 t -82.51 -53.75 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.33 -179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.56 ' CZ ' HG23 ' A' ' 116' ' ' ILE . 6.7 m-30 -61.32 -38.1 85.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.014 -179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 8.9 ttm-85 -86.21 -34.23 20.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.774 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.13 -40.67 41.68 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.342 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.464 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -89.69 51.15 2.03 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.919 0.39 . . . . 0.0 111.167 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.7 ptm180 -96.59 -42.47 8.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.2 tptm 60.98 80.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.845 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -174.31 -124.02 0.77 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.494 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.8 mtp85 -166.22 32.68 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.846 0.355 . . . . 0.0 110.941 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.034 0 CA-C-O 118.364 -1.242 . . . . 0.02 112.492 -179.928 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.1 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.775 0.321 . . . . 0.0 111.169 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 9.4 t80 -105.94 -66.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.927 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -78.09 -176.35 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.856 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -49.95 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.236 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.228 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.432 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 53.8 Cg_endo -69.51 157.75 59.73 Favored 'Trans proline' 0 C--N 1.346 0.432 0 C-N-CA 122.426 2.084 . . . . 0.0 112.323 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.408 ' O ' HD12 ' A' ' 8' ' ' LEU . 6.2 p-80 -110.06 -171.14 1.78 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.993 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.594 HD23 ' HA ' ' A' ' 14' ' ' VAL . 2.6 mp -126.08 120.14 29.42 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.778 179.899 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 24.4 p80 -128.56 40.21 3.69 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.599 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -168.56 140.14 2.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.956 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -36.22 88.85 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 10.5 m0 -60.13 -31.46 70.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.894 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -82.36 -32.1 29.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.599 HG23 ' O ' ' A' ' 10' ' ' ASN . 34.1 t -62.43 -51.54 70.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.04 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.49 -31.95 67.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -68.38 -47.09 68.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -59.94 -38.88 83.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 24.5 mt -81.21 -51.52 15.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.0 tp -59.71 -28.89 67.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.947 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 m -57.75 -57.37 13.03 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.958 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -77.17 124.63 28.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 15.1 mm-40 -103.47 -66.95 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.917 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.2 t0 -85.78 -31.72 22.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mmp_? -75.21 -177.32 3.42 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.907 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.792 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -113.87 -173.76 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.098 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 57' ' ' VAL . 12.5 p -158.69 150.28 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.827 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.559 179.806 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.728 ' O ' HD13 ' A' ' 28' ' ' ILE . 95.2 t -113.06 147.54 16.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.984 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.728 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -142.64 105.62 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.079 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.838 ' CG ' HG22 ' A' ' 81' ' ' VAL . 2.5 mtm-85 -86.24 152.07 23.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.897 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -112.34 164.27 13.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.874 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.669 ' HA2' HG22 ' A' ' 63' ' ' ILE . . . 89.24 -158.62 27.98 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.519 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.403 ' CE1' ' OG1' ' A' ' 64' ' ' THR . 29.3 m170 -107.42 138.83 42.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.81 0.338 . . . . 0.0 110.943 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.408 ' HB3' HD12 ' A' ' 60' ' ' LEU . 9.5 p-10 -61.64 -32.12 72.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.978 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 m-90 -58.86 -26.07 63.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -57.48 150.23 45.72 Favored Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.99 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -60.42 -50.61 6.66 Favored 'Trans proline' 0 C--N 1.345 0.368 0 C-N-CA 122.568 2.179 . . . . 0.0 112.098 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.682 HG21 ' O ' ' A' ' 103' ' ' ASN . 89.3 m -54.26 -31.71 54.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.797 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -72.5 -29.31 63.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.806 -0.634 . . . . 0.0 110.937 179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.6 mtp -68.19 -42.79 79.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.984 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.412 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 3.7 tptm -66.65 -40.57 88.74 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.976 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.781 ' O ' HD23 ' A' ' 45' ' ' LEU . 5.5 mtt -75.25 -34.03 61.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.711 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 90.0 m-20 -79.33 -40.5 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.138 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.412 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 21.0 pt-20 -60.67 -42.05 96.3 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.817 0.342 . . . . 0.0 110.679 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.549 HG22 HG12 ' A' ' 48' ' ' ILE . 12.3 p -71.46 -38.32 67.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.661 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.781 HD23 ' O ' ' A' ' 41' ' ' MET . 0.6 OUTLIER -49.66 -49.18 48.33 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 115.898 -0.592 . . . . 0.0 111.232 179.921 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -57.51 -34.67 69.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.121 -179.811 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 40.3 m -90.04 3.39 53.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.388 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.732 HD13 HD13 ' A' ' 116' ' ' ILE . 2.2 pp -144.62 33.95 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.192 0 CA-C-O 120.833 0.349 . . . . 0.0 111.17 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -108.57 -63.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.298 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -47.71 -29.43 3.06 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.442 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.404 ' HE3' HG13 ' A' ' 52' ' ' VAL . 0.0 OUTLIER -70.2 -29.61 66.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.067 -179.906 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.404 HG13 ' HE3' ' A' ' 51' ' ' LYS . 3.2 m -111.9 27.1 2.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.407 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 5.0 mmtt -53.02 -50.14 64.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.316 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -96.79 24.32 6.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.221 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.433 ' CE1' ' HG2' ' A' ' 121' ' ' ARG . 7.7 m-85 -119.62 -34.87 3.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.869 0.366 . . . . 0.0 110.975 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.972 ' HB3' ' CE2' ' A' ' 120' ' ' TYR . . . -175.32 179.06 1.57 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.031 HG23 HG23 ' A' ' 26' ' ' VAL . 14.7 m -136.37 -179.4 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.861 179.825 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.77 HG12 HD11 ' A' ' 45' ' ' LEU . 1.5 mp -147.31 162.38 7.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.465 -0.334 . . . . 0.0 111.039 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.591 ' CG ' HD13 ' A' ' 8' ' ' LEU . 5.2 m-85 -175.89 122.13 0.18 Allowed 'General case' 0 N--CA 1.452 -0.364 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.766 179.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD22 ' HE ' ' A' ' 29' ' ' ARG . 1.1 mt -71.18 171.71 10.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.813 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.426 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.5 t -151.97 115.33 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.123 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 79.9 m-20 -69.42 120.28 14.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.831 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.669 HG22 ' HA2' ' A' ' 31' ' ' GLY . 2.9 tt -90.1 11.81 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.458 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.403 ' OG1' ' CE1' ' A' ' 32' ' ' HIS . 8.2 m -117.65 -40.28 3.05 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.891 0.377 . . . . 0.0 110.862 179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -90.04 -44.91 9.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.843 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 21.6 t -90.04 106.34 14.26 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.21 83.37 0.6 Allowed 'Trans proline' 0 C--N 1.346 0.428 0 C-N-CA 122.406 2.071 . . . . 0.0 112.276 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 7.7 p-10 -69.73 -31.89 70.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.431 ' CE2' ' HD3' ' A' ' 71' ' ' LYS . 1.8 t80 -155.68 -56.4 0.09 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.4 m120 64.13 -79.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.972 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.431 ' HD3' ' CE2' ' A' ' 69' ' ' PHE . 0.8 OUTLIER 68.35 -69.39 0.15 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.993 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.9 tpt -157.12 -46.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.9 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -156.4 36.39 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -47.71 -33.2 6.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.287 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.693 ' O ' HD12 ' A' ' 75' ' ' LEU . 4.1 pp -71.91 125.15 26.47 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -160.35 -66.33 0.07 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -60.39 141.49 91.29 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.819 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.4 -61.72 0.46 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.495 2.13 . . . . 0.0 112.295 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.1 m -160.13 171.25 19.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.942 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.3 t -177.71 155.61 1.05 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.822 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.974 HG21 HD11 ' A' ' 94' ' ' LEU . 20.8 t -114.14 159.15 14.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.106 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.48 ' N ' HG12 ' A' ' 81' ' ' VAL . 1.7 mpp? -146.53 175.84 10.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.089 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.562 ' CE2' HG11 ' A' ' 119' ' ' VAL . 4.5 m-85 -126.35 154.2 43.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.761 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.797 ' O ' HG12 ' A' ' 26' ' ' VAL . 1.6 m-85 -136.28 126.19 25.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.9 179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.47 ' HB2' HG12 ' A' ' 25' ' ' VAL . 12.8 t80 -145.71 146.69 31.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.906 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.63 28.17 4.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.172 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 36.9 t-20 59.47 30.74 20.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.893 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.65 -168.33 1.4 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.6 t-80 -111.54 106.92 15.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.909 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.414 HG22 HG13 ' A' ' 92' ' ' ILE . 14.4 mt -126.09 155.03 35.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.989 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.9 mmm -110.02 -86.35 0.53 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.508 HD12 ' CB ' ' A' ' 83' ' ' PHE . 44.1 mt 62.66 136.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.924 0.393 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 9.4 p-10 -87.12 158.67 19.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.922 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.974 HD11 HG21 ' A' ' 81' ' ' VAL . 17.5 mt -66.74 -50.62 62.15 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.759 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -165.16 112.22 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.483 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.548 ' OG1' HD11 ' A' ' 102' ' ' ILE . 69.6 m -163.97 -62.47 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.783 0.325 . . . . 0.0 110.887 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 107.85 27.89 4.97 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.451 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 28.7 t30 -176.61 166.92 2.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.792 0.33 . . . . 0.0 110.896 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.7 t30 -62.48 102.46 0.32 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.9 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -176.2 95.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.934 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.94 141.52 10.47 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.238 -179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.548 HD11 ' OG1' ' A' ' 96' ' ' THR . 34.5 mm -90.01 91.97 3.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.682 ' O ' HG21 ' A' ' 37' ' ' THR . 10.9 p-10 -103.31 -28.17 12.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.836 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 14.9 t-105 -92.62 -25.68 18.19 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.919 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.513 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.51 121.6 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.369 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.4 103.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.561 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.431 ' HB2' ' CB ' ' A' ' 111' ' ' GLU . 0.1 OUTLIER 179.92 -32.46 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.303 -0.408 . . . . 0.0 111.318 -179.845 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.418 ' O ' ' HB2' ' A' ' 112' ' ' MET . 1.0 OUTLIER 61.62 -154.75 0.35 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.426 -0.352 . . . . 0.0 110.728 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.421 ' O ' ' CG2' ' A' ' 113' ' ' VAL . 3.6 pttm -79.31 6.85 8.96 Favored 'General case' 0 CA--C 1.53 0.183 0 N-CA-C 111.764 0.283 . . . . 0.0 111.764 -179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 78.0 mt-30 -90.37 -74.97 0.47 Allowed 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.773 0.321 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.431 ' CB ' ' HB2' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -66.23 -49.18 68.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.404 -179.552 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.753 ' C ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -53.7 -54.49 37.14 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.458 -0.337 . . . . 0.0 111.226 -179.75 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.48 ' CG2' HG21 ' A' ' 48' ' ' ILE . 41.0 t -51.03 -41.32 22.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.931 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -60.79 -44.4 96.86 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.605 179.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 115' ' ' ILE . 3.1 mm -69.45 -56.43 11.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.569 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.8 HG23 ' CE1' ' A' ' 120' ' ' TYR . 3.6 mt -52.3 -42.25 36.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.801 -0.636 . . . . 0.0 111.1 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.5 tt0 -59.7 -35.46 74.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.774 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.2 m -80.73 -50.59 9.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.578 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 55.0 t -59.82 -37.82 73.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.079 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.972 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 3.6 m-30 -71.91 -75.64 0.13 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.041 -179.739 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.433 ' HG2' ' CE1' ' A' ' 55' ' ' PHE . 80.1 mtp180 -54.27 -29.75 48.16 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 115.861 -0.609 . . . . 0.0 111.025 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.33 -46.29 10.29 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.425 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.578 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.05 50.77 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.883 0.373 . . . . 0.0 111.115 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 17.2 ptt180 -95.31 -29.93 14.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.958 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 24.3 tttm 62.45 117.42 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.917 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 171.08 101.81 0.15 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 21.3 mmm-85 60.72 80.51 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 110.851 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.043 0 CA-C-O 118.414 -1.215 . . . . 0.02 112.554 179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.487 1.382 0 CA-C-O 120.787 0.327 . . . . 0.0 111.165 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -109.58 -63.3 1.38 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.882 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 26.2 ttm 61.06 156.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.801 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.531 ' H ' HD12 ' A' ' 5' ' ' LEU . 2.9 mp -50.02 106.02 0.58 Allowed Pre-proline 0 C--N 1.331 -0.202 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.174 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 50.3 Cg_exo -53.79 135.84 63.84 Favored 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.394 2.063 . . . . 0.0 112.334 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.738 ' CD2' HD12 ' A' ' 60' ' ' LEU . 54.3 m80 -110.03 -174.65 2.54 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.956 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.066 HD12 HG22 ' A' ' 61' ' ' VAL . 70.4 mt -126.75 -177.6 4.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -131.69 -69.55 0.61 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.005 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.86 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.8 m-80 -144.19 179.86 6.96 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.896 -179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.49 -27.26 58.16 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.603 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 13.6 t-105 -62.15 -46.45 88.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 110.838 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -81.08 -34.67 32.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.553 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.86 HG23 ' O ' ' A' ' 10' ' ' ASN . 30.4 t -67.55 -38.14 80.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.937 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 40.2 t0 -74.15 -31.63 62.8 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.811 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 21.3 mt-30 -82.61 -30.53 29.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.851 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -66.58 -48.5 69.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.113 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.772 ' O ' HD13 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -59.94 -43.59 92.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.012 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.433 ' N ' HG23 ' A' ' 18' ' ' ILE . 5.7 mt -68.97 -42.65 76.33 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.907 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.3 m -89.99 51.52 2.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.91 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -63.35 -52.47 61.64 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.832 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 72.3 mm-40 58.48 30.15 19.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.907 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 36.0 m-20 -150.82 -76.69 0.14 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.878 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.66 -77.67 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.002 -0.544 . . . . 0.0 111.054 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.733 HG22 ' CE2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -102.55 -179.08 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.947 -179.901 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 57' ' ' VAL . 11.5 p -167.32 113.74 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.581 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.158 179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 81.2 t -87.29 151.65 3.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.19 -179.878 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.3 mm -141.48 106.59 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 115.966 -0.561 . . . . 0.0 110.874 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.72 ' NH2' HD13 ' A' ' 60' ' ' LEU . 8.3 tmm_? -94.41 122.59 37.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.722 ' HB3' HD11 ' A' ' 63' ' ' ILE . 64.0 m-85 -100.41 111.4 23.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 147.68 143.44 3.83 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.407 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -59.33 137.05 58.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.351 . . . . 0.0 110.915 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 47.0 t0 -56.15 -29.36 60.64 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.138 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . 0.417 ' CE3' ' HA ' ' A' ' 34' ' ' TRP . 0.1 OUTLIER -58.36 -24.24 59.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.157 179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 -56.4 148.99 40.91 Favored Pre-proline 0 C--N 1.331 -0.215 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.094 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.5 Cg_exo -55.8 -60.41 0.52 Allowed 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.581 2.187 . . . . 0.0 112.322 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.668 HG23 ' N ' ' A' ' 105' ' ' ALA . 22.1 m -55.16 -31.47 61.38 Favored 'General case' 0 N--CA 1.453 -0.323 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.969 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.3 m -63.09 -31.33 72.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -71.56 -37.46 71.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.5 mmtm -69.27 -53.13 21.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.804 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.498 ' HE1' HG22 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -58.4 -40.71 83.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.937 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -57.21 -45.48 83.78 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.966 179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -59.36 -31.96 69.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.755 179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.84 HG13 ' HA ' ' A' ' 109' ' ' LYS . 42.2 t -76.89 -47.34 28.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.028 179.865 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.696 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 86.2 mt -51.15 -26.64 7.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.36 -179.818 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 18.8 t80 -75.62 -33.44 60.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.1 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.2 m -90.03 -27.71 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.186 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.814 HG12 HG12 ' A' ' 44' ' ' VAL . 2.1 pt -105.62 27.92 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.361 -0.381 . . . . 0.0 111.304 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.696 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -87.56 -76.74 0.36 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.139 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -48.32 -28.45 3.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.367 -179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 11.9 mmtm -57.91 -66.85 0.41 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.29 -0.414 . . . . 0.0 111.062 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.448 ' HB ' ' HB3' ' A' ' 56' ' ' ALA . 10.7 m -84.72 1.25 4.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.71 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 15.1 ttmm -49.43 -29.29 6.23 Favored 'General case' 0 C--N 1.332 -0.162 0 CA-C-O 120.75 0.31 . . . . 0.0 111.379 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.411 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 5.5 t-20 -105.46 30.91 5.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.388 -0.369 . . . . 0.0 111.053 -179.875 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.411 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 44.6 m-85 -159.06 -72.07 0.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 121.191 0.52 . . . . 0.0 110.878 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.448 ' HB3' ' HB ' ' A' ' 52' ' ' VAL . . . -105.91 152.71 22.94 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.675 -0.693 . . . . 0.0 110.973 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.882 HG23 HG23 ' A' ' 26' ' ' VAL . 34.0 m -127.67 -173.18 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.943 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.629 HD13 ' CD2' ' A' ' 45' ' ' LEU . 19.2 tt -164.25 159.84 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.214 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.459 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 69.7 m-85 -159.24 135.43 8.99 Favored 'General case' 0 N--CA 1.445 -0.716 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.926 179.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.738 HD12 ' CD2' ' A' ' 7' ' ' HIS . 7.4 mt -83.27 146.42 28.56 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.864 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 1.066 HG22 HD12 ' A' ' 8' ' ' LEU . 11.2 t -119.66 130.2 74.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.111 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.584 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.7 m-20 -84.27 105.88 15.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.722 HD11 ' HB3' ' A' ' 30' ' ' PHE . 26.0 mm -76.47 -26.14 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.271 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.548 HG23 ' CD1' ' A' ' 75' ' ' LEU . 63.2 m -85.96 -36.23 19.97 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.878 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -76.96 -35.85 56.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.888 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 62' ' ' ASP . 22.0 t -90.1 106.24 13.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.141 179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 55.9 Cg_endo -69.89 79.92 0.95 Allowed 'Trans proline' 0 C--N 1.347 0.464 0 C-N-CA 122.448 2.099 . . . . 0.0 112.35 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.97 -76.09 0.43 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.947 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -103.05 26.85 7.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.011 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.5 t30 57.53 179.85 0.05 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.914 0.388 . . . . 0.0 111.043 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.732 ' HG3' HD13 ' A' ' 75' ' ' LEU . 1.3 mptp? -59.31 -17.56 30.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.447 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.4 mtt -45.72 -80.55 0.01 OUTLIER 'General case' 0 CA--C 1.529 0.151 0 CA-C-N 116.576 -0.283 . . . . 0.0 111.556 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -107.57 -27.78 10.16 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.44 -0.345 . . . . 0.0 110.962 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.441 ' HG3' HG22 ' A' ' 63' ' ' ILE . 7.8 tp10 -56.39 -67.38 0.31 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 121.042 0.449 . . . . 0.0 111.246 -179.703 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.732 HD13 ' HG3' ' A' ' 71' ' ' LYS . 1.6 tt -68.86 156.97 37.49 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.738 -0.665 . . . . 0.0 111.04 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.56 ' N ' HD23 ' A' ' 75' ' ' LEU . 3.5 t80 63.54 30.75 15.09 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.066 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -90.1 141.46 27.88 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.792 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 19.0 Cg_endo -59.97 -73.46 0.02 OUTLIER 'Trans proline' 0 C--N 1.346 0.404 0 C-N-CA 122.473 2.115 . . . . 0.0 112.277 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -179.3 168.58 1.49 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.833 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 77.5 m -165.24 134.96 3.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.542 HG21 ' HG ' ' A' ' 94' ' ' LEU . 47.4 t -126.57 134.72 65.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -154.61 142.94 20.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.937 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.557 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 12.1 p90 -110.5 145.78 37.12 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.87 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.526 ' HB2' HG13 ' A' ' 26' ' ' VAL . 7.2 m-85 -119.51 152.09 37.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.854 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.733 ' CE2' HG22 ' A' ' 25' ' ' VAL . 0.2 OUTLIER -147.62 133.94 19.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.879 -179.993 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 42.34 46.14 3.88 Favored 'General case' 0 N--CA 1.464 0.227 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.626 179.85 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.705 ' HA ' HD12 ' A' ' 18' ' ' ILE . 5.6 t30 63.8 48.97 3.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.89 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -134.58 135.32 42.16 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.844 ' O ' HD13 ' A' ' 90' ' ' ILE . 7.9 m-70 -84.31 113.36 21.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.844 HD13 ' O ' ' A' ' 89' ' ' HIS . 3.6 mm -131.09 148.23 32.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.003 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.4 mpt? -110.04 149.26 30.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.055 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.629 ' O ' HD13 ' A' ' 102' ' ' ILE . 8.8 tp -156.03 138.39 6.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.03 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.576 ' HA ' HG21 ' A' ' 102' ' ' ILE . 21.7 p-10 -82.07 135.2 35.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.919 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.727 HD22 ' HE2' ' A' ' 112' ' ' MET . 15.6 mt -60.02 -39.51 86.07 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.82 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -135.52 -80.66 0.12 Allowed Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.487 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 2.9 t -140.64 153.07 45.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.758 0.313 . . . . 0.0 110.959 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 143.74 100.28 0.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.636 -0.792 . . . . 0.0 112.517 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.5 m-20 -82.9 -31.8 27.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.831 0.348 . . . . 0.0 110.986 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 13.3 m120 -107.02 160.35 15.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.825 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 63.47 133.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.907 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.92 147.77 3.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.232 -179.859 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.629 HD13 ' O ' ' A' ' 92' ' ' ILE . 4.1 mt -68.77 72.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.091 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.507 ' O ' HG21 ' A' ' 37' ' ' THR . 15.5 p30 -97.28 -36.33 10.45 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 3.7 m95 -98.55 145.26 27.0 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.646 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.668 ' N ' HG23 ' A' ' 37' ' ' THR . . . -159.31 150.26 19.77 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.302 -179.864 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.3 ptt? -178.08 47.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.607 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.402 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 2.4 mp0 -97.35 6.42 48.32 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.065 -0.516 . . . . 0.0 111.545 -179.796 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.541 ' C ' HG22 ' A' ' 44' ' ' VAL . 11.9 m-20 56.0 -161.16 0.19 Allowed 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.636 -0.256 . . . . 0.0 110.824 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.84 ' HA ' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -86.2 9.52 17.32 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.51 -0.313 . . . . 0.0 111.521 -179.921 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -90.22 -74.99 0.47 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-O 120.822 0.344 . . . . 0.0 110.941 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.402 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 0.0 OUTLIER -58.78 -31.73 68.66 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.295 -0.412 . . . . 0.0 110.704 179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.822 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.03 -58.55 7.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.428 179.666 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.749 HG22 HG22 ' A' ' 48' ' ' ILE . 72.3 t -48.47 -37.43 7.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.851 179.44 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.8 t70 -69.48 -49.12 57.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.778 -0.646 . . . . 0.0 111.364 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.486 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 5.2 tp -66.2 -47.54 84.22 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.194 0 CA-C-O 120.832 0.349 . . . . 0.0 111.292 -179.573 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.822 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -60.65 -32.56 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.796 -179.506 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.8 tt0 -63.88 -43.36 96.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.599 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 5.4 m -60.96 -34.14 74.29 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.629 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.477 ' O ' ' HB3' ' A' ' 123' ' ' ALA . 42.0 t -77.81 -43.48 28.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.949 179.778 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -61.42 -40.02 92.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -90.03 -35.07 15.7 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.973 -179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.39 -45.97 22.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.448 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.57 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -70.39 -22.38 62.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.764 0.316 . . . . 0.0 111.305 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.21 -31.18 41.8 Favored 'General case' 0 C--N 1.332 -0.156 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.098 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.3 117.89 16.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.935 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -103.34 -169.99 25.84 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.484 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 mtt180 60.63 111.05 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.83 0.347 . . . . 0.0 110.924 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.476 -179.983 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m . . . . . 0 N--CA 1.486 1.334 0 CA-C-O 120.832 0.349 . . . . 0.0 111.195 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.8 m-85 -87.05 -69.58 0.67 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.01 -70.9 0.3 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.971 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.8 mt -49.97 105.64 0.54 Allowed Pre-proline 0 C--N 1.331 -0.196 0 CA-C-N 116.34 -0.391 . . . . 0.0 111.277 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.442 ' HB2' ' CD1' ' A' ' 59' ' ' TYR . 53.0 Cg_exo -54.98 117.39 3.97 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.298 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 6.5 p80 -110.08 178.67 4.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.937 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 61' ' ' VAL . 13.9 mt -130.4 163.12 27.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.765 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -115.01 -68.67 0.91 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.022 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.747 ' O ' HG23 ' A' ' 14' ' ' VAL . 21.8 t-20 -126.99 162.4 26.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.974 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.47 -24.14 37.49 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.644 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 4.2 m95 -64.52 -52.03 59.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.827 0.346 . . . . 0.0 110.936 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -70.35 -32.38 70.06 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.839 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -66.08 -48.53 81.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.978 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.499 ' O ' HG22 ' A' ' 18' ' ' ILE . 7.2 t70 -60.81 -31.29 70.7 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.882 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -68.38 -31.22 70.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.81 179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.87 -50.07 46.06 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.028 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 15' ' ' ASP . 14.5 tt -59.25 -29.88 42.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.142 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.8 tt -86.52 -29.73 22.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.931 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 35.2 t -59.09 -37.65 77.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.95 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 31.6 mm-40 -60.21 -77.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 58.89 41.69 20.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.949 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -176.76 -39.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 28.5 mmt180 -113.72 -173.64 2.31 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.861 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.614 HG21 ' HA ' ' A' ' 120' ' ' TYR . 0.2 OUTLIER -92.32 -171.84 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.035 -179.859 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.747 HG23 ' O ' ' A' ' 57' ' ' VAL . 10.6 p -170.36 119.65 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.447 -0.6 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.052 179.728 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.425 ' C ' HD12 ' A' ' 28' ' ' ILE . 87.6 t -93.33 139.64 17.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.112 -179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.794 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.69 119.58 11.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 115.978 -0.555 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' CB ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -108.16 142.23 38.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.017 -179.769 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 78.4 m-85 -105.61 109.52 21.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.554 ' HA2' HD12 ' A' ' 63' ' ' ILE . . . 159.24 147.02 4.74 Favored Glycine 0 N--CA 1.45 -0.425 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.519 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -66.53 141.84 57.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.809 0.338 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -59.01 -29.34 67.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.992 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 6.4 m95 -59.4 -30.24 68.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.077 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.55 146.37 80.2 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.896 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -55.36 -60.78 0.47 Allowed 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.538 2.159 . . . . 0.0 112.37 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.785 HG23 ' HB2' ' A' ' 105' ' ' ALA . 36.3 m -55.06 -31.47 61.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.925 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.4 OUTLIER -71.63 -29.04 64.2 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.919 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 15.2 ttp -87.32 -35.29 18.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.0 mttp -64.1 -47.33 80.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.792 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.578 ' HE2' ' HB1' ' A' ' 105' ' ' ALA . 10.0 mmt -72.97 -38.05 66.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.016 -179.8 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -71.63 -47.59 53.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.06 -179.844 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 16.0 mm-40 -57.16 -32.13 66.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.917 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.899 ' O ' HG22 ' A' ' 48' ' ' ILE . 10.8 p -88.68 -36.81 9.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.994 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.475 HD11 HD11 ' A' ' 94' ' ' LEU . 8.4 mt -47.44 -50.09 23.65 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.99 -0.55 . . . . 0.0 111.262 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 78.6 t80 -51.5 -41.21 60.82 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.963 0.411 . . . . 0.0 111.084 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.5 m -90.24 6.76 41.48 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.926 -0.579 . . . . 0.0 111.384 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.992 HD11 HG22 ' A' ' 113' ' ' VAL . 4.1 tp -162.96 57.55 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.19 0 CA-C-O 121.068 0.461 . . . . 0.0 111.294 -179.825 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -152.32 -69.21 0.16 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.075 -0.511 . . . . 0.0 111.18 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -48.53 -27.57 2.82 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.459 -179.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 2.3 ptmt -53.26 -32.76 50.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.328 -0.396 . . . . 0.0 111.223 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 8.0 m -115.8 25.35 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.332 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.32 -30.36 18.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.421 -0.354 . . . . 0.0 111.336 -179.863 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 66.8 m-80 -72.46 -30.02 64.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.073 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 47.5 m-85 -83.23 -21.65 33.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.116 -179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.617 ' HB3' ' CD2' ' A' ' 120' ' ' TYR . . . -175.82 178.47 1.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.0 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.747 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -143.82 120.8 5.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.719 HD12 HD21 ' A' ' 94' ' ' LEU . 14.3 tt -95.69 159.29 2.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.279 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 58.0 m-85 -159.19 151.1 20.75 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.888 179.602 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.2 mm? -96.41 154.71 17.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.82 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 8' ' ' LEU . 20.3 t -126.87 151.04 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.202 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 59.2 m-20 -112.15 91.09 3.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.861 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.554 HD12 ' HA2' ' A' ' 31' ' ' GLY . 0.2 OUTLIER -51.66 -25.63 5.66 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.402 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.843 -179.809 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.1 m -86.27 -34.74 20.3 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.924 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -77.41 -33.7 54.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.492 HG12 ' OD1' ' A' ' 68' ' ' ASP . 21.3 t -90.01 136.04 29.45 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -77.7 58.76 6.55 Favored 'Trans proline' 0 C--N 1.346 0.426 0 C-N-CA 122.486 2.124 . . . . 0.0 112.321 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.492 ' OD1' HG12 ' A' ' 66' ' ' VAL . 19.2 m-20 -85.04 -75.06 0.37 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.985 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.4 ' CG ' ' O ' ' A' ' 69' ' ' PHE . 3.0 p90 -141.72 63.4 1.43 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.9 m-80 -63.84 -77.92 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.08 79.69 0.16 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.961 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.0 mtp 64.11 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.921 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -154.07 29.46 0.45 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.929 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 -48.59 -33.84 10.49 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.263 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.709 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.0 OUTLIER -60.12 86.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.908 179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -145.84 29.51 1.1 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 27.7 m-20 -90.06 147.02 36.18 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.784 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.43 -64.9 0.13 Allowed 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.473 2.115 . . . . 0.0 112.244 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.418 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.6 OUTLIER 171.07 172.12 0.08 Allowed 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.832 179.967 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.418 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 9.1 t -179.97 131.09 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.699 179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.6 HG11 ' HG ' ' A' ' 94' ' ' LEU . 26.2 t -117.42 149.76 19.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.942 0.401 . . . . 0.0 111.265 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.456 ' HE3' ' HA ' ' A' ' 91' ' ' MET . 35.5 mtp -152.5 163.05 40.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.594 179.806 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.61 ' CZ ' HG21 ' A' ' 90' ' ' ILE . 6.8 p90 -121.8 151.6 40.42 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-O 120.926 0.393 . . . . 0.0 111.15 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.794 ' CD1' HD13 ' A' ' 28' ' ' ILE . 3.4 m-85 -124.21 150.88 44.75 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.867 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.407 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 87.7 t80 -148.39 147.84 29.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.732 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 50.75 31.18 5.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.104 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 25.7 t30 65.15 49.31 2.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.816 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 38.1 mttt -144.62 165.01 29.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.9 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.797 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m-70 -92.88 134.1 35.42 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.797 HD13 ' O ' ' A' ' 89' ' ' HIS . 13.4 mm -139.08 127.53 28.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.195 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.676 ' C ' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -59.5 -160.74 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.908 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.676 HD12 ' C ' ' A' ' 91' ' ' MET . 3.3 mp 72.76 126.39 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.333 -0.128 0 CA-C-O 120.909 0.385 . . . . 0.0 111.101 -179.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.574 ' HB2' HD12 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -94.27 -170.95 2.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.924 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.719 HD21 HD12 ' A' ' 58' ' ' ILE . 21.4 mt -60.09 -39.36 85.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.95 -179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.556 ' H ' HD12 ' A' ' 102' ' ' ILE . . . -104.64 -144.21 12.85 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.524 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.513 ' O ' HD11 ' A' ' 102' ' ' ILE . 8.9 t -87.23 153.43 21.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.79 0.329 . . . . 0.0 110.925 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 156.94 132.15 1.44 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.507 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -131.22 -67.24 0.71 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.851 0.357 . . . . 0.0 110.895 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 m120 -78.7 -31.54 46.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -121.96 97.37 5.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.871 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.96 140.33 12.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.574 HD12 ' HB2' ' A' ' 93' ' ' ASP . 18.0 mt -59.24 98.15 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.66 ' O ' HG21 ' A' ' 37' ' ' THR . 13.9 m-20 -109.08 -31.6 7.55 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.669 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 49.2 p90 -93.7 -22.36 18.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.052 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.785 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.01 139.16 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.257 -0.428 . . . . 0.0 111.281 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.2 tpp 178.23 156.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.723 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 70.01 9.68 7.17 Favored 'General case' 0 C--N 1.331 -0.202 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.418 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.473 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 13.8 m-20 -52.86 158.37 1.4 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.266 -179.736 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.744 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.2 OUTLIER 88.32 -44.3 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.369 0 CA-C-N 115.762 -0.653 . . . . 0.0 110.606 -179.738 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -90.25 -73.72 0.51 Allowed 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.667 179.706 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -53.41 -28.27 28.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.705 179.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.782 ' O ' HD12 ' A' ' 116' ' ' ILE . 5.6 mtt -65.04 -44.91 87.52 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.549 179.742 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.992 HG22 HD11 ' A' ' 48' ' ' ILE . 98.3 t -60.74 -37.92 77.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.027 179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -79.74 -41.85 25.81 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.301 -0.409 . . . . 0.0 111.741 -179.428 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.856 ' O ' HG23 ' A' ' 119' ' ' VAL . 1.5 mp -71.44 -55.66 13.02 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.88 0.372 . . . . 0.0 111.143 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.782 HD12 ' O ' ' A' ' 112' ' ' MET . 3.4 mt -58.78 -36.37 60.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.346 -179.086 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -63.6 -41.1 98.36 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.784 0.326 . . . . 0.0 110.986 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -79.24 -32.6 43.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.396 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.856 HG23 ' O ' ' A' ' 115' ' ' ILE . 38.9 t -76.79 -54.89 12.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.349 -0.387 . . . . 0.0 111.394 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.617 ' CD2' ' HB3' ' A' ' 56' ' ' ALA . 5.1 m-30 -58.6 -36.8 74.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.122 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 16.6 mtm180 -89.42 -34.01 16.63 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.972 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.25 -49.66 11.83 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.444 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.407 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -59.64 -28.07 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.771 0.319 . . . . 0.0 111.125 179.922 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.12 150.82 7.73 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.075 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt 59.6 176.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.962 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -145.88 109.94 0.52 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.512 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -104.85 153.07 21.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.807 0.336 . . . . 0.0 110.9 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.081 0 CA-C-O 118.417 -1.213 . . . . 0.02 112.506 -179.938 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.2 t . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 120.807 0.337 . . . . 0.0 111.23 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 27.9 m-85 -60.2 128.61 37.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.898 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.448 ' CB ' ' CE2' ' A' ' 46' ' ' TYR . 0.0 OUTLIER -133.27 -53.37 0.9 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.919 179.958 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.417 HD21 ' OD1' ' A' ' 42' ' ' ASP . 6.1 tp -49.82 106.24 0.61 Allowed Pre-proline 0 C--N 1.33 -0.251 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.135 -179.843 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -76.34 128.48 10.47 Favored 'Trans proline' 0 C--N 1.347 0.491 0 C-N-CA 122.406 2.071 . . . . 0.0 112.461 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.7 p-80 -110.11 168.33 9.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.933 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.795 ' HG ' HG22 ' A' ' 14' ' ' VAL . 0.9 OUTLIER -113.13 -172.02 1.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.774 179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 t-160 -176.75 -39.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.76 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.3 m120 -96.37 137.69 35.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.942 -179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -66.94 -27.98 73.61 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.662 -0.78 . . . . 0.0 112.499 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.1 t90 -63.37 -35.08 79.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.82 0.343 . . . . 0.0 110.848 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 55.1 mt-30 -84.7 -31.71 23.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.853 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 26.8 t -75.93 -34.47 27.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -80.67 -27.43 37.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.992 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -84.16 -32.48 24.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.936 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.6 -42.11 64.9 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.182 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.806 HD11 ' CE1' ' A' ' 84' ' ' PHE . 10.8 tt -59.01 -45.12 92.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.558 HD12 ' ND2' ' A' ' 87' ' ' ASN . 10.2 tt -83.76 -47.01 11.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.945 -179.871 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.9 t -90.07 58.89 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.955 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.8 -43.1 72.58 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 52.69 29.5 7.5 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -148.04 -75.37 0.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.082 0.468 . . . . 0.0 110.951 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.415 ' O ' ' CD1' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -177.92 -38.84 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.439 0 CA-C-N 115.897 -0.592 . . . . 0.0 110.976 -179.966 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -153.64 -170.84 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.825 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.757 HG12 ' O ' ' A' ' 84' ' ' PHE . 12.5 p -165.54 140.53 1.16 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.662 0 CA-C-N 116.379 -0.373 . . . . 0.0 111.447 179.666 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.718 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.7 t -115.63 139.17 43.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.92 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.555 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.8 mm -132.86 124.58 50.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.067 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.513 ' HB3' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -109.44 130.61 55.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.963 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -101.24 129.11 47.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 154.67 -158.78 28.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.491 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 20.7 t60 -109.06 159.16 17.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.809 0.338 . . . . 0.0 110.859 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -67.85 -30.67 70.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.948 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 32.5 m95 -105.44 33.84 3.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.985 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.2 m-20 -90.05 149.93 42.52 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.822 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -59.3 -67.33 0.06 OUTLIER 'Trans proline' 0 C--N 1.345 0.361 0 C-N-CA 122.578 2.185 . . . . 0.0 112.287 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' CB ' ' A' ' 105' ' ' ALA . 36.6 m -55.31 -31.26 61.5 Favored 'General case' 0 N--CA 1.453 -0.299 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.972 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.5 m -62.84 -31.57 72.61 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 115.94 -0.573 . . . . 0.0 110.906 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.5 tmm? -72.96 -37.18 67.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 16.9 mttt -69.01 -53.16 21.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.96 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.866 ' CG ' HD22 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -61.47 -40.7 95.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.978 -179.901 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.417 ' OD1' HD21 ' A' ' 5' ' ' LEU . 97.9 m-20 -71.39 -43.41 66.91 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.932 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -57.2 -35.28 69.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.77 179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.636 HG23 ' HG2' ' A' ' 109' ' ' LYS . 11.5 p -83.04 -31.73 9.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.825 179.771 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.789 HD23 ' SD ' ' A' ' 41' ' ' MET . 0.2 OUTLIER -52.39 -47.04 66.47 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.161 179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.448 ' CE2' ' CB ' ' A' ' 4' ' ' MET . 0.8 OUTLIER -59.28 -29.21 67.42 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.319 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.8 t -89.79 -28.05 19.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.348 -179.66 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.721 HD11 HD22 ' A' ' 45' ' ' LEU . 1.8 pt -103.86 26.63 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.3 -179.779 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -91.9 -48.99 6.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.357 -0.383 . . . . 0.0 111.099 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -48.99 -27.57 3.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.428 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 22.3 mmtt -55.01 -68.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.067 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.469 HG22 HG21 ' A' ' 116' ' ' ILE . 5.6 m -107.89 25.28 2.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.287 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.65 -29.96 12.35 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.284 -0.416 . . . . 0.0 111.269 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 9.1 p-10 -114.33 30.55 7.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.946 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -135.26 -51.99 0.77 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.058 0.456 . . . . 0.0 110.813 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -119.25 174.39 6.37 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.758 -0.655 . . . . 0.0 111.043 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.706 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.7 m -144.34 119.58 3.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.025 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.551 HG21 HD11 ' A' ' 45' ' ' LEU . 16.4 tt -92.85 160.97 2.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.087 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.738 ' HB3' HD23 ' A' ' 8' ' ' LEU . 66.0 m-85 -161.89 126.7 3.39 Favored 'General case' 0 N--CA 1.445 -0.703 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.936 179.641 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.513 HD13 ' HB3' ' A' ' 29' ' ' ARG . 3.6 mm? -79.23 145.65 33.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.935 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.42 HG21 ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -126.05 115.26 42.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.097 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.72 ' O ' HG12 ' A' ' 66' ' ' VAL . 47.3 m-20 -72.95 103.26 3.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.99 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.546 ' O ' HG23 ' A' ' 63' ' ' ILE . 1.2 tp -80.23 56.13 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.06 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 76.6 m -164.65 -43.36 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.602 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -88.37 -30.62 19.38 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.76 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 62' ' ' ASP . 14.3 p -70.77 139.27 85.82 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.987 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -52.71 89.43 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.325 0 C-N-CA 122.481 2.121 . . . . 0.0 112.235 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 19.7 p-10 -90.04 176.03 6.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -177.13 38.35 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.813 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 68.31 -69.82 0.14 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.972 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 68.13 -69.76 0.14 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.974 179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 10.9 mtt -144.3 -54.98 0.35 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.953 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.499 ' CE2' ' CG ' ' A' ' 76' ' ' TYR . 0.3 OUTLIER -162.73 30.09 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.923 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.475 ' HB3' HD11 ' A' ' 63' ' ' ILE . 0.0 OUTLIER -49.64 -67.01 0.3 Allowed 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.089 0.471 . . . . 0.0 111.29 -179.859 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.41 HD22 ' HA ' ' A' ' 75' ' ' LEU . 0.6 OUTLIER -86.53 109.38 19.06 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.987 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.499 ' CG ' ' CE2' ' A' ' 73' ' ' TYR . 1.3 t80 -177.54 -68.34 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.889 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -81.5 150.01 66.03 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_exo -52.32 -62.76 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.334 0 C-N-CA 122.523 2.148 . . . . 0.0 112.321 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.402 ' O ' ' HB ' ' A' ' 80' ' ' THR . 99.2 m -153.14 172.76 16.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.817 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.4 t -178.41 148.8 0.48 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.022 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.633 ' HB ' HD23 ' A' ' 94' ' ' LEU . 7.4 p -103.38 155.34 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.181 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 14.6 mtt -153.26 150.65 29.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.318 -0.401 . . . . 0.0 111.147 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.786 ' HB2' HD12 ' A' ' 92' ' ' ILE . 0.2 OUTLIER -113.55 148.52 35.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.498 179.837 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.806 ' CE1' HD11 ' A' ' 18' ' ' ILE . 1.8 m-85 -133.98 133.66 41.59 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 0.0 111.116 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.463 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 22.4 t80 -150.25 146.23 26.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.728 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 48.31 28.07 1.52 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.974 -0.557 . . . . 0.0 111.324 179.81 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.558 ' ND2' HD12 ' A' ' 19' ' ' LEU . 36.6 t30 57.27 31.03 19.42 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.845 0.355 . . . . 0.0 111.003 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.84 -165.68 1.03 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.904 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -110.94 128.62 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.574 HD13 ' C ' ' A' ' 90' ' ' ILE . 0.0 OUTLIER -158.04 118.49 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.032 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.438 ' N ' HD13 ' A' ' 90' ' ' ILE . 18.5 mtm -105.21 153.06 22.08 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.902 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.786 HD12 ' HB2' ' A' ' 83' ' ' PHE . 0.2 OUTLIER -145.49 -175.04 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.12 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.461 ' HB3' HD11 ' A' ' 102' ' ' ILE . 1.0 OUTLIER -137.3 102.66 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.866 HD22 ' CG ' ' A' ' 41' ' ' MET . 2.9 pp -60.08 -29.19 68.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -122.35 -128.23 3.41 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.508 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 42.2 m -141.17 158.32 44.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -162.47 -45.29 0.02 OUTLIER Glycine 0 N--CA 1.453 -0.206 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.435 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 60.35 33.44 20.8 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.856 0.36 . . . . 0.0 110.943 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 28.9 m-20 -158.23 -62.92 0.08 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -138.79 -173.41 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 16.4 mmtm -49.94 167.85 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.283 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.461 HD11 ' HB3' ' A' ' 93' ' ' ASP . 24.7 mm -90.01 79.91 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.193 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.666 ' O ' HG21 ' A' ' 37' ' ' THR . 3.5 m-20 -92.49 -29.29 16.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.5 m0 -84.78 -27.98 26.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.57 136.07 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.299 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 tpt 179.82 159.06 0.74 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.705 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.3 mm-40 69.97 8.4 6.67 Favored 'General case' 0 N--CA 1.463 0.182 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.561 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.441 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 0.8 OUTLIER -47.68 157.69 0.24 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.773 0.321 . . . . 0.0 111.237 -179.835 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.636 ' HG2' HG23 ' A' ' 44' ' ' VAL . 14.9 mttp 86.16 -41.88 0.04 OUTLIER 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.828 -0.623 . . . . 0.0 110.8 -179.739 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -90.12 -62.12 1.53 Allowed 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.828 179.71 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -65.32 -40.2 93.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.858 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.689 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -58.73 -62.82 1.58 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.803 179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 109' ' ' LYS . 86.9 t -50.76 -36.48 14.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.961 0.41 . . . . 0.0 110.929 179.676 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -70.43 -40.52 73.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.451 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.562 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -74.55 -46.58 42.25 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.212 0 CA-C-O 120.779 0.323 . . . . 0.0 111.578 -179.571 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.689 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -57.3 -30.07 34.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.365 -0.38 . . . . 0.0 111.157 -179.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -80.61 -29.01 36.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 12.7 m -82.61 -30.21 29.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.927 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.49 ' CG1' ' N ' ' A' ' 120' ' ' TYR . 1.2 p -74.08 -47.22 42.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 121.062 0.458 . . . . 0.0 110.999 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.49 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.38 -31.97 71.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.857 -179.87 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.438 ' HG3' ' CE1' ' A' ' 120' ' ' TYR . 11.1 mtp180 -74.58 -34.91 62.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.994 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -88.99 -41.66 5.84 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.46 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -85.36 56.82 4.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.929 0.395 . . . . 0.0 111.086 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -100.08 -34.88 9.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.991 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 68.61 -69.32 0.15 Allowed 'General case' 0 C--N 1.331 -0.203 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.932 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 105.28 -47.57 1.05 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.511 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.2 mtt180 -60.62 86.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 0.0 110.867 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.347 -1.252 . . . . 0.02 112.454 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 p . . . . . 0 N--CA 1.487 1.418 0 CA-C-O 120.832 0.348 . . . . 0.0 111.159 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -61.45 158.68 14.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 42.6 mtp -97.29 -75.71 0.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.945 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -49.95 146.02 8.47 Favored Pre-proline 0 C--N 1.331 -0.207 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.237 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.437 ' HB2' ' CD2' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -73.27 116.44 4.7 Favored 'Trans proline' 0 C--N 1.345 0.359 0 C-N-CA 122.557 2.171 . . . . 0.0 112.338 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 0.2 OUTLIER -110.22 -168.62 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.851 -179.944 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.824 ' HB3' HG22 ' A' ' 14' ' ' VAL . 52.5 mt -156.18 110.24 2.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.787 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' A' ' 65' ' ' GLU . 12.9 t-80 -113.72 -32.68 6.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.17 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.854 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.8 m-20 -100.24 136.28 40.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.917 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.05 -32.0 70.01 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.457 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 34.5 t-105 -62.87 -40.14 96.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.814 0.34 . . . . 0.0 110.873 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 17.3 mp0 -77.12 -32.12 56.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.839 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.854 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -64.48 -62.25 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.032 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -59.17 -36.61 75.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.815 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 8.1 mm100 -71.82 -31.11 66.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.825 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.91 -42.82 99.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.082 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.438 ' HA ' HG11 ' A' ' 26' ' ' VAL . 33.5 mt -71.35 -52.75 24.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.05 -20.18 64.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.141 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -53.58 -71.94 0.07 Allowed 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.474 -0.33 . . . . 0.0 111.132 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 38.4 mm-40 -81.94 88.22 6.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.003 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -98.01 29.92 3.27 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.752 179.678 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -99.23 -35.8 9.85 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.967 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.631 ' HG2' HG23 ' A' ' 25' ' ' VAL . 2.1 ttp85 -136.72 -90.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.631 HG23 ' HG2' ' A' ' 24' ' ' ARG . 0.0 OUTLIER -146.71 177.1 1.35 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-O 121.08 0.467 . . . . 0.0 111.608 -179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.975 HG13 HG23 ' A' ' 57' ' ' VAL . 9.5 t -149.99 115.41 0.71 Allowed 'Isoleucine or valine' 0 N--CA 1.441 -0.879 0 CA-C-N 115.648 -0.706 . . . . 0.0 111.022 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.759 ' HB ' HG23 ' A' ' 58' ' ' ILE . 48.4 t -84.61 144.4 9.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.363 -179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.657 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.7 mm -136.66 115.73 15.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.097 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.75 ' HD2' HG22 ' A' ' 81' ' ' VAL . 1.1 tpt180 -86.68 141.6 28.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.79 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -118.27 141.39 48.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.818 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 136.9 -121.63 2.39 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.515 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 23.9 t60 -152.25 139.88 19.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.785 0.326 . . . . 0.0 110.905 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 10.8 t0 -60.38 -43.99 96.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.991 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.2 t-105 -59.27 -28.27 66.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -57.95 147.11 65.46 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.923 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 34.0 Cg_endo -64.8 -44.61 10.02 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.59 2.193 . . . . 0.0 112.142 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.441 HG23 ' HB2' ' A' ' 105' ' ' ALA . 71.2 m -55.39 -34.87 64.73 Favored 'General case' 0 N--CA 1.452 -0.346 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.72 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -71.15 -32.86 69.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.721 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 80.6 mtp -66.47 -34.78 78.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.743 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.429 ' HB2' ' HB1' ' A' ' 105' ' ' ALA . 10.6 mmtt -72.03 -34.29 68.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.814 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.834 ' HG3' HD11 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -72.76 -34.18 66.83 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.645 179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.73 ' HA ' HD12 ' A' ' 45' ' ' LEU . 7.5 m-20 -73.98 -47.34 37.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.964 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.41 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.9 pt-20 -56.39 -35.19 67.46 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.626 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.644 HG22 HG12 ' A' ' 48' ' ' ILE . 14.7 p -85.43 -32.77 7.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.801 179.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.816 HD23 HD12 ' A' ' 58' ' ' ILE . 2.7 mt -49.02 -50.67 34.97 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.319 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -56.2 -31.51 63.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.382 -179.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 13.3 t -90.08 -19.77 23.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.516 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.644 HG12 HG22 ' A' ' 44' ' ' VAL . 2.0 pp -121.17 29.06 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.724 0.297 . . . . 0.0 111.361 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.471 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -108.27 -78.88 0.58 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.42 -0.355 . . . . 0.0 111.182 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -47.83 -28.4 2.56 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.429 -179.8 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 14.3 mtpp -58.29 -27.1 63.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.156 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.769 HG11 ' CG2' ' A' ' 116' ' ' ILE . 3.3 m -131.44 10.86 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.531 -0.304 . . . . 0.0 111.789 -179.751 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.26 175.74 0.02 OUTLIER 'General case' 0 N--CA 1.454 -0.225 0 CA-C-O 120.788 0.327 . . . . 0.0 111.107 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 5.4 t-20 74.9 -58.02 0.59 Allowed 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.334 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -88.12 -52.05 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 121.077 0.465 . . . . 0.0 110.74 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.419 ' HB2' ' CZ ' ' A' ' 24' ' ' ARG . . . -108.99 124.25 50.4 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.799 179.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.975 HG23 HG13 ' A' ' 26' ' ' VAL . 0.9 OUTLIER -124.05 134.47 66.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.168 -179.852 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.816 HD12 HD23 ' A' ' 45' ' ' LEU . 7.2 mt -108.89 162.31 6.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.995 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.605 ' C ' HD12 ' A' ' 60' ' ' LEU . 54.7 m-85 -158.11 171.23 20.61 Favored 'General case' 0 N--CA 1.446 -0.664 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.94 179.609 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.605 HD12 ' C ' ' A' ' 59' ' ' TYR . 8.0 mp -121.17 130.03 53.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.415 HG21 ' CG2' ' A' ' 28' ' ' ILE . 18.6 t -117.8 129.48 74.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.078 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 83.0 m-20 -93.3 112.64 24.62 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.008 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.551 ' O ' HG23 ' A' ' 63' ' ' ILE . 7.2 tp -83.7 57.37 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 121.142 0.496 . . . . 0.0 110.98 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.65 -45.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.492 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' A' ' 9' ' ' HIS . 6.0 tp10 -90.01 -31.13 17.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.743 179.745 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . . . . . . . . . 22.1 t -85.44 135.96 38.07 Favored Pre-proline 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.049 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 48.5 Cg_endo -68.77 99.9 0.67 Allowed 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.467 2.111 . . . . 0.0 112.279 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.472 ' HB2' HD12 ' A' ' 75' ' ' LEU . 12.8 p-10 -89.95 -175.35 4.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -141.67 80.43 1.72 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.97 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.7 m-80 -156.91 32.37 0.3 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 58.46 22.28 9.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.101 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 31.2 mmm 53.72 30.49 11.21 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.125 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 31.1 m-85 -128.59 -59.0 1.16 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -50.77 -48.49 59.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.209 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 68' ' ' ASP . 66.7 mt -90.01 77.49 6.86 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.799 -0.637 . . . . 0.0 110.91 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 6.3 t80 -138.77 31.18 2.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -88.33 154.93 51.75 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.893 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 29.3 Cg_endo -63.15 -43.09 20.12 Favored 'Trans proline' 0 C--N 1.344 0.312 0 C-N-CA 122.619 2.213 . . . . 0.0 112.196 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -177.94 153.11 0.79 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 10.1 t -177.52 148.58 0.58 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.75 HG22 ' HD2' ' A' ' 29' ' ' ARG . 16.6 t -110.71 149.44 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.285 -0.416 . . . . 0.0 111.158 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 11.0 mtm -156.91 129.91 7.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.938 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.48 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.6 m-85 -77.01 148.16 36.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.838 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -137.57 132.11 32.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.011 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -146.25 147.65 31.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.842 179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 8.2 ttt180 52.99 30.52 9.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.09 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 33.2 t-20 62.22 31.53 17.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.825 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 3.7 tttp -111.21 -168.32 1.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.497 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.4 m-70 -122.32 122.87 40.09 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.917 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.769 HG22 HG12 ' A' ' 92' ' ' ILE . 26.5 mm -128.7 111.22 22.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.133 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.693 ' O ' HD13 ' A' ' 92' ' ' ILE . 2.5 ptp -70.59 93.34 0.91 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.971 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.769 HG12 HG22 ' A' ' 90' ' ' ILE . 33.0 mm -143.53 117.72 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.116 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 59.0 p30 -93.58 176.7 6.27 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.834 HD11 ' HG3' ' A' ' 41' ' ' MET . 24.3 mt -59.94 -28.21 67.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.978 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -151.32 133.73 4.36 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.515 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.415 HG23 HD11 ' A' ' 115' ' ' ILE . 73.6 p -106.91 79.34 1.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.843 0.354 . . . . 0.0 110.845 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -124.04 -73.64 0.25 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.458 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 8.4 t30 -60.05 -173.47 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.845 0.355 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -98.66 31.41 2.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -157.41 127.52 6.28 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.84 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.6 mttt -49.82 158.79 0.45 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.326 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 34.6 mm -64.82 84.57 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.028 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -102.24 -23.74 13.98 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.007 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -116.44 0.45 12.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.404 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.441 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 63.32 128.12 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.153 0 CA-C-O 120.92 0.39 . . . . 0.0 111.325 179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -178.67 142.55 0.23 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.857 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 71.39 8.79 6.39 Favored 'General case' 0 C--N 1.333 -0.15 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.424 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.479 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 51.9 m-20 -51.47 156.33 1.29 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.75 0.31 . . . . 0.0 111.234 -179.837 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 113' ' ' VAL . 22.7 tttt 88.36 -41.51 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.361 0 CA-C-N 115.906 -0.588 . . . . 0.0 110.945 -179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.7 tp60 -90.18 -53.95 4.24 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.491 179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -68.58 -33.52 74.21 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.651 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.694 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -61.3 -52.0 66.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.684 179.797 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.696 HG23 ' O ' ' A' ' 109' ' ' LYS . 60.3 t -57.14 -39.39 66.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.945 179.749 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -74.42 -30.3 61.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.74 179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.415 HD11 HG23 ' A' ' 96' ' ' THR . 4.5 mm -72.54 -59.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 121.105 0.479 . . . . 0.0 110.626 179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.769 ' CG2' HG11 ' A' ' 52' ' ' VAL . 3.5 mt -51.86 -33.74 16.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.16 -179.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 3.1 tp10 -64.83 -54.86 24.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.731 179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.5 m -58.64 -42.61 88.74 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.786 179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.452 HG12 HG21 ' A' ' 25' ' ' VAL . 87.1 t -66.29 -31.98 56.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.868 179.724 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CD2' ' CZ ' ' A' ' 24' ' ' ARG . 0.5 OUTLIER -58.59 -52.82 64.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 121.068 0.461 . . . . 0.0 110.903 179.987 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 14.2 mmm-85 -78.34 -33.28 49.22 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.763 -0.653 . . . . 0.0 110.988 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -70.97 -41.28 61.72 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.434 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -74.19 -48.01 31.88 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.713 0.292 . . . . 0.0 111.177 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -59.49 177.92 0.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.987 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.85 85.67 3.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.992 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -61.76 85.56 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.555 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 94.6 mtt180 -70.5 158.82 35.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.08 0 CA-C-O 118.451 -1.194 . . . . 0.02 112.486 179.951 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.401 0 CA-C-O 120.884 0.373 . . . . 0.0 111.196 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -130.42 140.49 50.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -98.07 -169.52 1.83 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.87 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.638 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.0 OUTLIER -49.96 106.2 0.61 Allowed Pre-proline 0 C--N 1.331 -0.238 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.229 -179.773 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 57.0 Cg_endo -70.78 138.16 34.01 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.439 2.092 . . . . 0.0 112.293 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.445 ' CE1' ' HB3' ' A' ' 60' ' ' LEU . 2.1 t60 -110.11 146.17 35.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.981 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 14' ' ' VAL . 5.8 mt -87.04 -177.97 6.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.807 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.785 ' O ' HG22 ' A' ' 66' ' ' VAL . 1.4 t60 -125.77 -68.46 0.83 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.343 -0.389 . . . . 0.0 111.056 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.808 ' O ' HG23 ' A' ' 14' ' ' VAL . 10.8 m-80 -139.53 -173.62 3.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.982 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.11 -24.56 58.72 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.718 -0.754 . . . . 0.0 112.615 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 19.3 m0 -58.39 -48.88 79.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.871 0.367 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -83.66 -37.68 22.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.808 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -63.72 -60.38 2.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.068 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 47.4 m-20 -59.59 -46.6 88.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.906 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -60.1 -39.52 86.46 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.894 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -58.13 -33.37 69.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.131 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.653 HD12 ' CB ' ' A' ' 84' ' ' PHE . 28.2 mm -59.04 -63.16 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.102 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.588 HD12 ' ND2' ' A' ' 87' ' ' ASN . 8.4 tt -73.4 -28.85 62.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.982 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 19.3 t -90.39 26.37 1.97 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.474 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -55.69 -48.83 74.45 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-O 120.821 0.343 . . . . 0.0 110.975 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 53.1 29.6 8.41 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.133 179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 69.8 m-20 -143.46 -71.97 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.998 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.423 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -176.3 -69.98 0.01 OUTLIER 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.014 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.816 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -120.82 -174.49 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 CA-C-N 115.894 -0.594 . . . . 0.0 111.057 -179.915 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.686 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.1 p -160.6 140.87 3.44 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.776 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.401 179.714 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.744 HG22 ' CE2' ' A' ' 83' ' ' PHE . 52.4 t -115.02 150.84 16.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.045 -0.525 . . . . 0.0 111.1 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.59 HD13 ' CD1' ' A' ' 84' ' ' PHE . 4.3 mp -139.15 145.33 27.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.001 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.656 ' HB2' HD13 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -126.05 144.95 50.52 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.939 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -121.74 136.52 54.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.779 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 123.58 143.48 6.3 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.579 -0.819 . . . . 0.0 112.397 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 3.5 t-80 -61.13 154.01 24.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.818 0.342 . . . . 0.0 110.815 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -59.17 -29.76 67.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.966 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 3.9 t-105 -59.82 -29.97 68.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.972 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.27 140.75 87.77 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.954 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 46.6 Cg_endo -69.02 -49.66 0.64 Allowed 'Trans proline' 0 C--N 1.345 0.394 0 C-N-CA 122.497 2.131 . . . . 0.0 112.364 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.628 HG21 ' O ' ' A' ' 103' ' ' ASN . 72.9 m -55.77 -33.8 64.67 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.831 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -70.16 -34.27 72.8 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 115.924 -0.58 . . . . 0.0 110.685 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 78.5 mtp -79.59 -34.97 40.32 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.81 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.425 ' O ' HG23 ' A' ' 44' ' ' VAL . 11.5 mmtt -64.58 -48.37 75.24 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.815 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.694 ' HG3' HD11 ' A' ' 94' ' ' LEU . 1.7 tmt? -63.14 -57.48 10.44 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.556 ' HB3' HD22 ' A' ' 5' ' ' LEU . 6.4 m-20 -57.22 -35.79 70.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.103 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 9.7 mt-10 -57.75 -37.78 74.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.704 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.87 HG12 HG12 ' A' ' 48' ' ' ILE . 17.6 t -89.18 -33.35 6.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.824 179.725 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.051 HD11 HD13 ' A' ' 58' ' ' ILE . 0.5 OUTLIER -47.95 -40.96 23.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.962 -0.563 . . . . 0.0 111.426 179.94 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 33.4 t80 -65.23 -30.35 71.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.346 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 23.1 p -90.0 -26.54 20.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.453 -0.34 . . . . 0.0 111.306 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.87 HG12 HG12 ' A' ' 44' ' ' VAL . 1.3 pt -109.2 30.16 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.315 -0.402 . . . . 0.0 111.27 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.647 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -106.49 -55.51 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.074 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -48.47 -27.94 2.99 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.426 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -54.72 -30.22 55.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.156 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' A' ' 55' ' ' PHE . 2.9 t -144.8 20.21 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.334 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.7 ttmm -51.96 -25.43 8.25 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.425 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.404 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 3.5 t-20 -93.82 41.62 1.09 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.249 -179.757 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.731 ' HB2' HG12 ' A' ' 52' ' ' VAL . 3.5 m-85 -166.89 -43.63 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.955 0.407 . . . . 0.0 110.884 179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.816 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -116.08 159.72 21.31 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.029 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.636 HG13 HG23 ' A' ' 26' ' ' VAL . 7.3 p -140.07 125.71 21.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.084 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 1.051 HD13 HD11 ' A' ' 45' ' ' LEU . 3.7 mp -103.83 161.23 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.103 -179.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.585 ' C ' HD22 ' A' ' 60' ' ' LEU . 54.7 m-85 -160.12 166.56 29.57 Favored 'General case' 0 N--CA 1.446 -0.639 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.491 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.656 HD13 ' HB2' ' A' ' 29' ' ' ARG . 3.1 mm? -113.19 146.12 39.82 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.795 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.406 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 20.2 t -123.23 122.43 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.161 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -77.95 117.12 18.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.066 -0.516 . . . . 0.0 111.021 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 1.4 tt -82.38 57.39 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 121.179 0.514 . . . . 0.0 110.708 179.783 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.866 HG23 ' HG3' ' A' ' 74' ' ' GLU . 90.8 m -162.97 -46.27 0.04 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.824 -0.625 . . . . 0.0 110.547 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.6 tp10 -90.21 -30.22 17.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.914 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.785 HG22 ' O ' ' A' ' 9' ' ' HIS . 16.7 t -82.44 -46.43 0.94 Allowed Pre-proline 0 C--N 1.331 -0.22 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.612 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.492 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 78.4 Cg_exo -50.22 144.17 23.87 Favored 'Trans proline' 0 C--N 1.346 0.437 0 C-N-CA 122.316 2.011 . . . . 0.0 112.449 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 5.5 t0 -82.23 -30.39 30.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.903 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 -123.47 73.53 1.19 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.942 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.41 ' CB ' ' HA ' ' A' ' 74' ' ' GLU . 0.8 OUTLIER -124.67 1.81 8.21 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.258 -179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.1 tmtp? -72.53 -39.37 67.61 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-O 120.914 0.388 . . . . 0.0 110.988 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -98.95 -18.91 17.59 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.192 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -143.88 50.49 1.35 Allowed 'General case' 0 C--N 1.332 -0.194 0 CA-C-O 120.849 0.356 . . . . 0.0 110.741 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.866 ' HG3' HG23 ' A' ' 64' ' ' THR . 0.3 OUTLIER -42.58 -37.13 1.57 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 115.987 -0.551 . . . . 0.0 111.501 -179.833 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 mp -90.32 162.04 15.35 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.89 -0.595 . . . . 0.0 110.922 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 81.6 t80 -178.9 -82.63 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.73 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -90.21 141.71 27.92 Favored Pre-proline 0 C--N 1.331 -0.225 0 CA-C-N 116.499 -0.319 . . . . 0.0 110.862 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 42.0 Cg_endo -67.97 -48.07 1.54 Allowed 'Trans proline' 0 C--N 1.345 0.376 0 C-N-CA 122.47 2.114 . . . . 0.0 112.125 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.405 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.7 OUTLIER 175.27 157.68 0.19 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.046 -0.524 . . . . 0.0 110.574 179.896 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.405 ' HB ' ' O ' ' A' ' 79' ' ' CYS . 12.3 t -178.32 143.32 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.04 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.913 HG11 ' HG ' ' A' ' 94' ' ' LEU . 8.1 p -104.65 149.22 8.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.248 179.747 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 12.3 mtt -145.32 162.61 36.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.744 ' CE2' HG22 ' A' ' 27' ' ' VAL . 9.4 m-85 -126.04 161.76 26.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.908 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.686 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.7 m-85 -141.17 162.61 35.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.503 ' O ' ' N ' ' A' ' 87' ' ' ASN . 4.0 t80 -145.01 -175.03 4.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.135 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 4.3 mtt85 -53.38 82.67 0.0 OUTLIER 'General case' 0 N--CA 1.455 -0.209 0 CA-C-O 120.792 0.33 . . . . 0.0 110.926 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.588 ' ND2' HD12 ' A' ' 19' ' ' LEU . 9.9 m-80 54.75 38.29 29.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.952 -179.621 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -133.35 106.32 7.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.777 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -59.86 123.84 18.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.985 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.562 HG23 ' O ' ' A' ' 90' ' ' ILE . 8.0 tp -133.72 109.59 13.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.912 179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -94.14 93.42 7.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.019 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.73 HG23 ' CD1' ' A' ' 83' ' ' PHE . 0.7 OUTLIER -132.1 107.63 12.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 179.799 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.509 ' HA ' HG13 ' A' ' 81' ' ' VAL . 3.0 m-20 -74.26 -171.39 1.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.066 -179.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.913 ' HG ' HG11 ' A' ' 81' ' ' VAL . 4.7 mt -96.1 22.35 7.7 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.029 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.797 ' C ' HD11 ' A' ' 102' ' ' ILE . . . 157.03 -146.0 12.99 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.653 -0.784 . . . . 0.0 112.452 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.69 ' N ' HD11 ' A' ' 102' ' ' ILE . 61.0 m -152.56 85.44 1.25 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.816 0.341 . . . . 0.0 110.874 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -69.37 -158.7 1.84 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.525 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 10.7 m120 -65.74 -32.76 74.48 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.803 0.335 . . . . 0.0 110.856 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 -109.37 32.2 5.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.857 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.9 m-80 62.88 -79.92 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.039 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 15.2 mtpt -49.86 119.94 3.93 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.233 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.797 HD11 ' C ' ' A' ' 95' ' ' GLY . 28.2 mm -68.23 97.36 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.11 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.628 ' O ' HG21 ' A' ' 37' ' ' THR . 4.2 m-80 -108.0 -28.84 9.33 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.749 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 1.9 m-90 -96.23 -25.78 15.67 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.593 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 64.31 140.81 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.234 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -163.34 165.92 23.56 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.017 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 58.36 100.89 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.916 -179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.416 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 9.7 p-10 -88.1 122.83 32.13 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 115.183 -0.917 . . . . 0.0 110.998 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.438 ' H ' HG11 ' A' ' 44' ' ' VAL . 0.5 OUTLIER 82.82 -24.01 0.19 Allowed 'General case' 0 N--CA 1.466 0.334 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.428 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 -90.44 -50.12 6.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.822 0.344 . . . . 0.0 111.099 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -76.63 -44.97 31.95 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.537 -179.479 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.774 ' SD ' HD22 ' A' ' 94' ' ' LEU . 0.1 OUTLIER -64.01 -57.84 8.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.359 -179.562 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 91.3 t -53.72 -45.69 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.347 -0.388 . . . . 0.0 111.399 -179.68 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.92 -42.2 75.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.822 0.344 . . . . 0.0 110.683 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.801 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.2 mm -70.41 -56.82 9.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.687 179.667 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.667 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -55.13 -34.19 31.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 115.911 -0.586 . . . . 0.0 111.348 -179.223 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -66.22 -38.82 88.85 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.992 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 18.2 m -84.14 -25.83 29.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.295 -179.8 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 115' ' ' ILE . 27.8 t -83.69 -53.75 10.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.791 0.329 . . . . 0.0 111.434 -179.73 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.516 ' CE2' ' HB3' ' A' ' 56' ' ' ALA . 6.9 m-30 -65.55 -39.67 91.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.158 -179.658 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -79.28 -33.36 43.47 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.92 -43.33 14.42 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.362 179.842 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.17 46.39 1.35 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.76 0.314 . . . . 0.0 111.205 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -99.28 30.5 3.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.006 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.61 -177.5 4.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.904 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.47 158.93 23.94 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.53 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -157.68 141.92 16.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 110.968 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.07 0 CA-C-O 118.367 -1.241 . . . . 0.02 112.498 -179.97 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 p . . . . . 0 N--CA 1.485 1.318 0 CA-C-O 120.771 0.32 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.9 m-85 -83.33 101.19 11.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 7.2 ttp -86.44 129.45 34.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.917 HD11 ' HB3' ' A' ' 45' ' ' LEU . 3.2 mp -49.9 106.13 0.6 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.24 -179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.416 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 56.7 Cg_endo -70.69 141.16 40.81 Favored 'Trans proline' 0 C--N 1.346 0.433 0 C-N-CA 122.462 2.108 . . . . 0.0 112.333 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -109.98 -172.86 2.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.892 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.874 HD23 HG22 ' A' ' 14' ' ' VAL . 7.7 mp -91.89 -175.25 4.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.718 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -173.92 -46.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.002 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.587 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.5 m120 -136.71 153.98 50.73 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.938 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -56.69 -26.72 54.0 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.843 -0.694 . . . . 0.0 112.645 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 3.8 m-90 -59.36 -34.41 72.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 0.0 110.95 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mt-30 -90.04 -34.09 16.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.947 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.874 HG22 HD23 ' A' ' 8' ' ' LEU . 23.9 t -60.12 -37.81 74.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.091 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.411 ' OD2' HD22 ' A' ' 19' ' ' LEU . 1.5 t70 -90.06 -45.34 9.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.944 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.1 tm0? -57.75 -27.08 62.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.507 ' HB1' ' CE2' ' A' ' 59' ' ' TYR . . . -89.93 -49.87 6.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.305 -0.407 . . . . 0.0 111.272 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.507 HG23 ' HB3' ' A' ' 84' ' ' PHE . 34.4 mt -74.53 -59.48 3.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.263 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.71 HD12 ' CG ' ' A' ' 87' ' ' ASN . 5.2 tp -57.36 -54.78 42.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.109 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.06 58.96 4.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -56.19 -52.71 63.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.051 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 47.28 29.22 1.18 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.308 179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 82.2 m-20 -138.51 -78.22 0.36 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.083 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.468 ' HE ' HG23 ' A' ' 25' ' ' VAL . 39.8 ttp180 -176.84 -54.97 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.104 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.577 HG13 ' CE1' ' A' ' 85' ' ' PHE . 38.4 t -133.59 163.46 37.45 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 115.722 -0.672 . . . . 0.0 111.137 -179.697 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 57' ' ' VAL . 4.0 t -151.7 115.52 0.56 Allowed 'Isoleucine or valine' 0 N--CA 1.442 -0.859 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.907 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 77.8 t -99.37 148.6 6.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.079 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.765 HD13 ' CD1' ' A' ' 84' ' ' PHE . 3.6 mp -140.95 116.14 6.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.047 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.517 ' NH2' HD11 ' A' ' 60' ' ' LEU . 11.3 ttp-105 -102.31 139.77 37.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.129 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.499 ' HB2' HG23 ' A' ' 80' ' ' THR . 4.2 m-85 -108.22 148.58 29.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.962 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 104.96 -175.72 22.37 Favored Glycine 0 N--CA 1.45 -0.402 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.451 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -89.97 165.19 14.21 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.869 0.366 . . . . 0.0 110.863 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -69.21 -27.21 65.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.05 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 8.6 m0 -56.81 -28.0 60.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.139 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 14.4 m-20 -58.42 153.56 37.97 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.964 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 32.6 Cg_endo -65.27 -55.29 0.48 Allowed 'Trans proline' 0 C--N 1.346 0.396 0 C-N-CA 122.596 2.198 . . . . 0.0 112.588 -179.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.646 HG23 ' HB2' ' A' ' 105' ' ' ALA . 56.2 m -55.68 -32.27 63.11 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.966 0.412 . . . . 0.0 110.98 -179.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -70.52 -32.66 70.22 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.946 -0.57 . . . . 0.0 110.775 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.0 mtm -87.55 -35.15 18.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.07 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.22 -51.75 49.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.868 -179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.799 ' SD ' HD23 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -68.39 -41.92 79.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 -179.926 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.618 ' OD1' HD13 ' A' ' 5' ' ' LEU . 12.0 t0 -66.87 -45.46 78.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.364 -179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -56.12 -35.96 67.67 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-O 120.897 0.38 . . . . 0.0 110.678 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.657 HG22 HG12 ' A' ' 48' ' ' ILE . 14.9 p -85.86 -31.86 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 115.948 -0.569 . . . . 0.0 110.916 179.642 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.917 ' HB3' HD11 ' A' ' 5' ' ' LEU . 0.3 OUTLIER -49.76 -44.36 48.67 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.286 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -58.23 -32.41 68.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.499 -179.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 81.1 p -90.1 -38.13 13.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.816 0.341 . . . . 0.0 111.568 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.657 HG12 HG22 ' A' ' 44' ' ' VAL . 2.9 pt -95.76 21.29 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.439 -179.619 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.657 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -85.84 -61.42 1.76 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -48.45 -27.36 2.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.453 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -50.27 -67.49 0.25 Allowed 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.309 -0.405 . . . . 0.0 111.229 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 28.0 m -115.64 26.07 3.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.317 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 40.4 ttmt -51.04 -30.52 15.78 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.363 -179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.406 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 2.6 t-20 -95.41 42.61 1.09 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.067 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.412 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . 13.3 m-85 -162.86 -50.66 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.129 0.49 . . . . 0.0 110.882 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -105.4 147.17 28.52 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.769 -0.65 . . . . 0.0 110.823 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.806 HG13 HG13 ' A' ' 26' ' ' VAL . 7.3 p -139.03 101.79 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-O 120.971 0.415 . . . . 0.0 111.037 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.525 HD12 ' HE1' ' A' ' 41' ' ' MET . 15.9 tt -80.75 162.64 3.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.522 ' CE2' HG22 ' A' ' 57' ' ' VAL . 19.3 m-85 -161.49 112.83 1.74 Allowed 'General case' 0 N--CA 1.445 -0.701 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.912 179.679 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.607 ' O ' HD13 ' A' ' 8' ' ' LEU . 8.9 mp -63.24 179.0 0.46 Allowed 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.551 HG22 HD22 ' A' ' 8' ' ' LEU . 29.2 t -154.11 122.93 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.94 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.76 ' O ' HG23 ' A' ' 66' ' ' VAL . 1.0 OUTLIER -89.68 110.46 21.35 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 -179.894 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . . . . . . . . . 7.0 pt -57.59 -23.99 21.25 Favored 'Isoleucine or valine' 0 N--CA 1.451 -0.401 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.377 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 6.4 m -90.93 -47.16 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.837 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -62.04 -46.49 88.94 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.76 HG23 ' O ' ' A' ' 62' ' ' ASP . 18.0 t -65.4 138.27 96.94 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.872 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.41 ' HD2' ' CG1' ' A' ' 66' ' ' VAL . 95.3 Cg_exo -43.94 -29.03 2.38 Favored 'Trans proline' 0 C--N 1.347 0.498 0 C-N-CA 122.581 2.187 . . . . 0.0 112.831 -179.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -59.61 87.84 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -59.68 -66.41 0.52 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.004 -179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.478 ' HB3' HD11 ' A' ' 75' ' ' LEU . 12.6 p30 -176.55 -39.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.022 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 7.1 tttp 69.81 -66.2 0.28 Allowed 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.88 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.6 mtp -136.07 -63.37 0.65 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.96 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.436 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 15.4 p90 -156.23 37.11 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -48.81 -53.95 17.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.386 -179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.665 HD13 ' H ' ' A' ' 75' ' ' LEU . 0.0 OUTLIER -90.27 56.26 3.33 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.124 -179.935 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.436 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 0.2 OUTLIER -76.27 -69.1 0.53 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.838 179.829 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -64.12 165.52 13.24 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.84 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -59.65 -40.71 62.59 Favored 'Trans proline' 0 C--N 1.344 0.314 0 C-N-CA 122.548 2.166 . . . . 0.0 112.155 179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.411 ' O ' ' HB ' ' A' ' 80' ' ' THR . 0.1 OUTLIER -161.36 -178.29 6.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.869 179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.499 HG23 ' HB2' ' A' ' 30' ' ' PHE . 8.8 t -179.3 137.06 0.13 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.729 179.841 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.566 HG21 HD22 ' A' ' 94' ' ' LEU . 24.6 t -118.98 159.34 19.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.359 -0.382 . . . . 0.0 111.159 -179.874 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.485 ' N ' HG12 ' A' ' 81' ' ' VAL . 4.4 ptm -150.33 125.39 9.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . . . . . . . . . 6.5 m-85 -82.4 151.21 26.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.765 ' CD1' HD13 ' A' ' 28' ' ' ILE . 13.9 m-85 -142.29 115.51 8.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.909 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.577 ' CE1' HG13 ' A' ' 25' ' ' VAL . 2.4 m-85 -112.13 108.03 17.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.843 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 5.3 ttp180 56.18 41.92 28.8 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.026 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.71 ' CG ' HD12 ' A' ' 19' ' ' LEU . 1.1 t-20 62.2 35.52 15.44 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.894 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 10.6 ttmt -86.25 -28.39 23.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.924 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER 62.88 92.51 0.06 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.878 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.432 HG21 HD11 ' A' ' 92' ' ' ILE . 1.1 tp -139.11 129.54 32.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.072 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.44 -82.39 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.338 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.45 ' CD1' ' CZ ' ' A' ' 85' ' ' PHE . 27.7 mt 60.95 113.93 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-N 116.319 -0.4 . . . . 0.0 111.156 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.452 ' CB ' HD11 ' A' ' 102' ' ' ILE . 4.8 p-10 -75.65 141.14 42.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.075 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.798 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.5 OUTLIER -97.49 23.19 7.92 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 179.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -137.36 -129.35 2.74 Favored Glycine 0 N--CA 1.449 -0.439 0 C-N-CA 120.657 -0.782 . . . . 0.0 112.424 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.432 HG23 ' N ' ' A' ' 97' ' ' GLY . 9.0 t -98.74 -46.24 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.756 0.312 . . . . 0.0 110.936 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.432 ' N ' HG23 ' A' ' 96' ' ' THR . . . 119.92 148.37 8.16 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.524 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 -176.37 -46.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.811 0.339 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 36.1 t30 -144.85 36.1 1.15 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.864 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 62.81 -80.16 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.026 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 25.7 mtmm -49.95 107.11 0.14 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.374 -0.376 . . . . 0.0 111.233 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.452 HD11 ' CB ' ' A' ' 93' ' ' ASP . 35.2 mm -90.02 81.25 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -84.38 -19.34 33.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.899 179.842 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.3 t-105 -134.5 84.34 2.1 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.861 0.362 . . . . 0.0 110.647 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.646 ' HB2' HG23 ' A' ' 37' ' ' THR . . . -66.05 160.75 23.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.447 -179.699 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.9 ttt -145.93 158.26 43.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.449 ' HB3' ' HB2' ' A' ' 110' ' ' GLN . 15.0 mm-40 64.55 103.57 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.214 0 CA-C-O 121.186 0.517 . . . . 0.0 110.518 -179.63 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.65 ' C ' HG21 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -61.27 -88.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 115.383 -0.826 . . . . 0.0 112.222 -179.089 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.579 ' HG2' HG23 ' A' ' 44' ' ' VAL . 30.1 mtpt -76.69 0.63 19.67 Favored 'General case' 0 C--N 1.331 -0.229 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 -178.735 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . 0.449 ' HB2' ' HB3' ' A' ' 107' ' ' GLU . 2.5 mm-40 -90.42 -60.65 1.87 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.658 0.266 . . . . 0.0 111.4 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.41 -60.66 2.19 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.759 0.314 . . . . 0.0 111.369 -179.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.798 ' SD ' HD12 ' A' ' 94' ' ' LEU . 1.2 mpp? -47.31 -61.97 1.65 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.385 -0.371 . . . . 0.0 111.262 -179.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.452 ' CG2' HG21 ' A' ' 48' ' ' ILE . 99.5 t -47.29 -36.75 4.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.966 0.412 . . . . 0.0 111.084 179.763 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -72.06 -47.87 48.45 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.484 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.473 HG22 ' O ' ' A' ' 112' ' ' MET . 5.5 tp -64.41 -45.13 96.77 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 120.769 0.319 . . . . 0.0 111.244 -179.539 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.72 HD12 ' O ' ' A' ' 112' ' ' MET . 3.9 mt -58.9 -33.5 49.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.857 -179.437 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -63.96 -50.17 69.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.646 179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.25 -38.16 82.61 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.702 179.755 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.553 HG13 ' CZ ' ' A' ' 85' ' ' PHE . 88.7 t -75.29 -28.73 20.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.839 179.775 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.463 ' CD1' ' NH1' ' A' ' 24' ' ' ARG . 2.3 t80 -61.31 -39.54 90.88 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.828 -179.842 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.2 mtm180 -86.03 -36.33 19.79 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.018 -179.86 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -73.92 -40.64 43.45 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.49 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.434 ' CB ' HG22 ' A' ' 25' ' ' VAL . . . -87.99 53.75 2.86 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.849 0.357 . . . . 0.0 111.101 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 28.8 ptt-85 -92.78 -46.54 7.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -176.7 153.09 1.05 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -89.3 -99.38 1.04 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.519 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -176.63 84.62 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.85 0.357 . . . . 0.0 110.852 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.108 0 CA-C-O 118.362 -1.243 . . . . 0.02 112.531 179.923 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.487 1.403 0 CA-C-O 120.878 0.37 . . . . 0.0 111.212 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -150.71 78.8 1.32 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.914 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 6.4 ttm 61.0 100.17 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.925 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.794 HD13 ' HB3' ' A' ' 45' ' ' LEU . 6.4 mp -49.86 106.21 0.61 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.18 -179.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 96.4 Cg_endo -79.71 -168.55 0.64 Allowed 'Trans proline' 0 C--N 1.346 0.427 0 C-N-CA 122.544 2.163 . . . . 0.0 112.571 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.638 ' O ' HD12 ' A' ' 8' ' ' LEU . 15.2 p80 -110.0 -173.88 2.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.015 -0.538 . . . . 0.0 110.883 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.806 HD13 ' CD2' ' A' ' 59' ' ' TYR . 5.5 mp -137.86 120.67 16.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.867 179.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 31.7 p80 -116.39 37.24 3.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.718 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.1 t-20 -153.03 136.14 15.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.935 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -67.61 -28.58 73.56 Favored Glycine 0 N--CA 1.452 -0.251 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.436 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 53.3 m95 -66.97 -32.17 73.23 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.809 0.337 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 8.8 mm-40 -81.15 -35.95 30.86 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.718 HG23 ' O ' ' A' ' 10' ' ' ASN . 28.6 t -65.54 -57.31 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.071 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -60.49 -35.0 74.87 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.935 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -75.78 -30.61 59.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.888 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB3' ' OH ' ' A' ' 59' ' ' TYR . . . -69.35 -53.09 21.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.096 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.483 ' HA ' HG11 ' A' ' 26' ' ' VAL . 12.5 tt -59.89 -36.1 64.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 16.9 mt -83.42 -26.08 30.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.941 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 11.2 t -56.55 -56.31 22.84 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.033 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.574 ' OE1' HG21 ' A' ' 57' ' ' VAL . 41.5 mp0 -103.57 71.87 1.1 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.931 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.16 31.36 2.77 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.62 179.748 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.4 t0 -114.01 -33.08 5.84 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.136 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.427 ' HG3' ' CD1' ' A' ' 55' ' ' PHE . 0.1 OUTLIER -120.85 -86.35 0.65 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.372 -179.779 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.516 HG12 ' H ' ' A' ' 26' ' ' VAL . 1.4 t -150.97 168.15 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 121.061 0.458 . . . . 0.0 111.744 -179.776 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.135 HG13 HG23 ' A' ' 57' ' ' VAL . 2.4 t -156.7 116.92 0.32 Allowed 'Isoleucine or valine' 0 N--CA 1.446 -0.654 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.377 179.581 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.78 ' C ' HD13 ' A' ' 28' ' ' ILE . 56.1 t -109.1 148.34 12.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 121.107 0.48 . . . . 0.0 111.933 -179.338 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.78 HD13 ' C ' ' A' ' 27' ' ' VAL . 0.0 OUTLIER -135.81 165.09 30.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 115.859 -0.61 . . . . 0.0 110.588 179.627 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.59 ' HB3' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -141.85 96.84 3.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.042 179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -72.15 123.84 23.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.85 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 158.64 -99.34 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.441 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -177.04 132.87 0.18 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.807 0.337 . . . . 0.0 110.909 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -61.1 -33.88 74.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 1.1 t-105 -60.72 -30.24 69.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -59.1 150.16 63.51 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.6 Cg_endo -66.72 -40.8 12.2 Favored 'Trans proline' 0 C--N 1.345 0.378 0 C-N-CA 122.492 2.128 . . . . 0.0 112.261 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.825 HG23 ' CB ' ' A' ' 105' ' ' ALA . 90.5 m -56.63 -38.81 72.62 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.669 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.6 m -70.33 -30.96 68.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 115.795 -0.638 . . . . 0.0 110.688 179.795 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 86.4 mtp -68.68 -39.07 80.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.928 179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.414 ' O ' ' HG3' ' A' ' 43' ' ' GLU . 3.0 ttmt -65.32 -48.7 72.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.826 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.764 ' SD ' HD11 ' A' ' 94' ' ' LEU . 25.4 ttt -69.12 -34.3 74.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.74 179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 48.8 t0 -75.59 -46.57 31.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 115.96 -0.564 . . . . 0.0 111.252 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.414 ' HG3' ' O ' ' A' ' 40' ' ' LYS . 0.3 OUTLIER -55.34 -32.08 62.24 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.948 0.404 . . . . 0.0 110.681 -179.888 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.798 ' O ' HG22 ' A' ' 48' ' ' ILE . 13.0 p -87.75 -40.55 13.79 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.663 179.511 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.794 ' HB3' HD13 ' A' ' 5' ' ' LEU . 7.9 mt -45.12 -29.72 0.97 Allowed 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 115.971 -0.559 . . . . 0.0 111.302 179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -66.82 -62.84 1.24 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.48 -179.709 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -90.27 24.63 2.47 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.786 -0.643 . . . . 0.0 112.131 -179.194 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.85 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -142.01 -36.33 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 N-CA-C 111.8 0.296 . . . . 0.0 111.8 179.845 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.761 ' HB2' HD23 ' A' ' 45' ' ' LEU . . . -88.78 -36.4 16.11 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.798 0.332 . . . . 0.0 111.258 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -48.71 -27.29 2.8 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.445 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 12.8 mttp -53.36 -38.92 63.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.352 -0.385 . . . . 0.0 111.271 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.492 HG11 ' CE2' ' A' ' 120' ' ' TYR . 5.5 m -135.46 24.64 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.434 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.558 ' HD3' HD21 ' A' ' 5' ' ' LEU . 8.4 mmmt -51.65 -28.76 15.49 Favored 'General case' 0 N--CA 1.455 -0.215 0 CA-C-N 116.427 -0.351 . . . . 0.0 111.339 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -68.13 -36.25 79.41 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.122 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.427 ' CD1' ' HG3' ' A' ' 24' ' ' ARG . 34.9 m-85 -86.72 -39.46 15.98 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.988 0.423 . . . . 0.0 110.812 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -117.9 138.05 52.4 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.618 179.66 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.135 HG23 HG13 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -117.08 107.15 21.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.967 0.413 . . . . 0.0 111.155 -179.77 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.751 HG23 ' HB ' ' A' ' 27' ' ' VAL . 7.9 mt -104.76 154.79 6.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.972 179.844 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.806 ' CD2' HD13 ' A' ' 8' ' ' LEU . 36.7 p90 179.87 169.85 1.18 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.939 0.399 . . . . 0.0 111.14 179.522 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.651 HD22 ' N ' ' A' ' 60' ' ' LEU . 0.4 OUTLIER -100.15 169.63 9.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.772 179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.4 t -152.3 148.08 14.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.118 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 5.1 t0 -88.84 104.97 17.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.921 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.484 ' O ' HG23 ' A' ' 63' ' ' ILE . 2.3 tt -81.75 56.42 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.94 179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . 0.663 HG22 ' HG3' ' A' ' 71' ' ' LYS . 3.1 m -165.12 -43.35 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.511 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -89.54 -36.89 15.1 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.781 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 21.6 t -78.22 -48.1 2.02 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.628 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 86.5 Cg_endo -78.52 130.72 10.05 Favored 'Trans proline' 0 C--N 1.347 0.471 0 C-N-CA 122.267 1.978 . . . . 0.0 112.473 -179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -87.39 -55.74 3.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -85.47 57.57 4.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.807 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.402 ' HB2' ' HB2' ' A' ' 67' ' ' PRO . 0.4 OUTLIER -159.64 -46.91 0.05 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.727 -179.915 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.663 ' HG3' HG22 ' A' ' 64' ' ' THR . 0.0 OUTLIER -59.74 85.06 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.044 -179.967 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 179.25 -71.23 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.758 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -113.93 -26.49 8.12 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.101 -0.499 . . . . 0.0 111.003 179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.09 -39.89 91.66 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.095 -179.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.5 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.8 pp -65.35 137.3 57.42 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -176.77 -41.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -88.14 148.32 42.62 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.896 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.8 Cg_exo -53.19 -62.68 0.31 Allowed 'Trans proline' 0 C--N 1.344 0.341 0 C-N-CA 122.539 2.159 . . . . 0.0 112.284 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 84.8 m -152.68 179.12 8.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.849 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 13.1 t -171.7 144.39 1.83 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.087 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.605 HG12 ' HB ' ' A' ' 102' ' ' ILE . 5.4 p -105.12 163.96 4.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.185 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.407 ' N ' HG22 ' A' ' 81' ' ' VAL . 15.8 ptp -170.07 131.89 1.05 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.031 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.469 ' CD2' HD12 ' A' ' 92' ' ' ILE . 5.2 m-85 -85.73 161.6 19.11 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.772 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.41 ' HB2' HD11 ' A' ' 28' ' ' ILE . 9.0 m-85 -149.48 116.93 6.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.944 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.425 ' CD1' ' O ' ' A' ' 24' ' ' ARG . 26.9 t80 -133.1 148.01 52.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.588 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.8 ttt180 51.63 26.14 3.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.199 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.5 t-20 60.65 36.4 19.63 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.057 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 9.6 ptpt -129.89 -173.27 2.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.841 179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.707 ' O ' HD13 ' A' ' 90' ' ' ILE . 6.9 t-160 -83.63 135.13 34.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.011 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.707 HD13 ' O ' ' A' ' 89' ' ' HIS . 26.1 mm -142.8 112.51 2.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.989 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 6.7 mtp -93.25 113.89 26.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.958 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.589 HD13 ' CG2' ' A' ' 119' ' ' VAL . 23.4 mt -151.09 118.79 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.021 179.86 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 102' ' ' ILE . 9.8 p-10 -83.4 154.03 24.21 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.041 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.823 HD22 ' HE3' ' A' ' 112' ' ' MET . 17.1 mt -59.86 -29.55 68.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.825 179.788 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -67.58 -109.63 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.498 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.587 ' HA ' HD13 ' A' ' 115' ' ' ILE . 88.6 m -164.07 -44.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 0.0 110.884 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 178.56 86.5 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.531 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 1.5 t-20 -156.88 -68.08 0.1 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.831 0.348 . . . . 0.0 110.9 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 -105.7 -169.38 1.58 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 m-80 -124.58 -76.96 0.59 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.973 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . 0.401 ' O ' ' CH2' ' A' ' 104' ' ' TRP . 20.8 mttt -50.56 100.29 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.359 -179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.605 ' HB ' HG12 ' A' ' 81' ' ' VAL . 3.1 mp -90.16 72.18 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.021 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.609 ' O ' HG21 ' A' ' 37' ' ' THR . 11.0 p30 -110.09 -28.04 8.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.139 -179.849 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.401 ' CH2' ' O ' ' A' ' 101' ' ' LYS . 28.3 p90 -80.56 -41.59 23.82 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.308 -0.405 . . . . 0.0 111.026 -179.787 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.825 ' CB ' HG23 ' A' ' 37' ' ' THR . . . 63.19 133.12 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.28 -0.418 . . . . 0.0 111.189 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 4.3 ttp -177.75 164.31 1.95 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 70.79 9.39 6.82 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.437 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.464 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 6.4 p-10 -48.96 156.53 0.5 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.383 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.703 ' HD2' HG23 ' A' ' 44' ' ' VAL . 0.4 OUTLIER 88.41 -43.54 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.367 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.822 -179.729 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -90.0 -64.63 1.11 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.812 179.8 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -57.55 -39.15 76.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.847 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.835 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -56.02 -59.53 4.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.923 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.647 HG23 ' O ' ' A' ' 109' ' ' LYS . 87.8 t -48.11 -36.47 6.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.135 179.78 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -76.42 -46.96 24.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.662 -179.621 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' HA ' ' A' ' 96' ' ' THR . 6.1 tp -65.75 -47.02 87.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-O 120.708 0.289 . . . . 0.0 111.461 -179.438 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.835 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -62.14 -33.02 56.46 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.962 -179.269 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -63.82 -40.61 97.03 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.841 179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -70.76 -53.73 14.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.589 ' CG2' HD13 ' A' ' 92' ' ' ILE . 49.3 t -61.66 -38.22 79.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.492 ' CE2' HG11 ' A' ' 52' ' ' VAL . 42.3 t80 -60.58 -34.48 74.24 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.924 -179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 11.9 tpp180 -90.08 -35.85 15.22 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.012 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.86 -41.34 33.78 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.418 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.459 ' HB3' HG22 ' A' ' 25' ' ' VAL . . . -85.13 56.97 4.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.893 0.378 . . . . 0.0 111.06 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.0 mtm-85 -95.25 -74.98 0.53 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.94 -169.68 2.26 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -153.54 105.45 0.28 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.488 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 1.6 mmt-85 60.62 157.58 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.829 0.347 . . . . 0.0 110.946 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.104 0 CA-C-O 118.388 -1.229 . . . . 0.02 112.504 -179.978 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m . . . . . 0 N--CA 1.486 1.358 0 CA-C-O 120.815 0.341 . . . . 0.0 111.147 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.8 m-85 -142.83 31.3 1.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.7 mtm -62.84 159.66 16.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.905 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.445 ' HG ' HD12 ' A' ' 45' ' ' LEU . 4.4 mm? -49.84 104.96 0.46 Allowed Pre-proline 0 C--N 1.331 -0.233 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.2 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 31.9 Cg_exo -59.42 145.21 98.61 Favored 'Trans proline' 0 C--N 1.346 0.422 0 C-N-CA 122.472 2.115 . . . . 0.0 112.272 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -110.01 -175.13 2.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.742 HD23 ' O ' ' A' ' 60' ' ' LEU . 3.8 mm? -90.5 -175.3 4.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.905 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -148.44 -46.8 0.15 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.999 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.748 ' O ' HG23 ' A' ' 14' ' ' VAL . 33.1 m120 -140.84 163.77 32.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.945 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -65.52 -29.7 75.8 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.804 -0.713 . . . . 0.0 112.394 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 29.9 m95 -59.15 -37.84 78.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.843 0.354 . . . . 0.0 110.86 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.584 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 5.6 mm100 -80.95 -29.36 35.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 10' ' ' ASN . 21.9 t -69.12 -60.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.029 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -58.78 -36.73 74.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.918 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.4 tm0? -77.17 -26.96 53.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.942 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.584 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -62.18 -43.18 99.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.085 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.617 HD12 ' O ' ' A' ' 14' ' ' VAL . 2.5 mp -59.35 -48.12 88.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.053 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.5 mt -78.11 -25.27 47.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.118 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 73.4 m -90.25 28.38 1.44 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.467 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 10.3 mt-10 -56.71 -63.71 1.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.811 0.339 . . . . 0.0 110.9 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 55.92 30.43 15.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.031 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 64.4 m-20 -141.44 -76.48 0.29 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.407 ' O ' ' CE1' ' A' ' 85' ' ' PHE . 5.2 ttm180 -174.88 -67.15 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.943 -0.571 . . . . 0.0 111.051 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.736 HG21 ' CD1' ' A' ' 120' ' ' TYR . 0.4 OUTLIER -120.14 179.88 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 115.709 -0.678 . . . . 0.0 110.747 -179.934 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.842 HG23 ' O ' ' A' ' 57' ' ' VAL . 12.0 p -160.83 139.14 2.53 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.804 0 CA-C-O 120.873 0.368 . . . . 0.0 111.264 179.7 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.586 HG22 ' CE2' ' A' ' 83' ' ' PHE . 87.8 t -118.94 152.73 21.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.622 HD13 ' HD1' ' A' ' 84' ' ' PHE . 3.9 mp -143.94 129.4 15.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.163 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.426 HH12 HD11 ' A' ' 45' ' ' LEU . 18.5 ttm105 -113.5 137.67 51.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.856 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 -113.19 133.11 55.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.592 ' O ' HG22 ' A' ' 63' ' ' ILE . . . 151.3 -119.08 0.96 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.485 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 8.2 t60 -161.96 151.27 15.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.854 0.359 . . . . 0.0 110.838 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 24.1 m-20 -60.22 -31.08 69.83 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.922 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 59.0 t-105 -70.59 -31.24 68.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -60.16 143.76 88.15 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.819 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 61.7 Cg_endo -73.25 -36.61 3.99 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.528 2.152 . . . . 0.0 112.388 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.556 HG21 ' O ' ' A' ' 103' ' ' ASN . 16.9 m -56.55 -38.17 71.54 Favored 'General case' 0 N--CA 1.451 -0.394 0 CA-C-O 121.024 0.44 . . . . 0.0 110.786 -179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 51.9 m -78.1 -31.1 49.86 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.851 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 28.1 mtp -76.23 -35.95 58.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.879 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.547 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.3 OUTLIER -67.72 -52.76 33.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.691 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.678 ' HG3' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -62.36 -48.52 79.41 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 179.956 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.532 ' OD2' HD21 ' A' ' 60' ' ' LEU . 1.0 OUTLIER -58.55 -48.41 80.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.031 -0.531 . . . . 0.0 111.498 -179.737 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.492 ' HG3' ' N ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -53.47 -31.15 44.44 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-O 121.0 0.429 . . . . 0.0 110.518 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.839 HG21 ' HB2' ' A' ' 108' ' ' ASP . 39.7 t -88.1 -31.92 5.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 115.661 -0.699 . . . . 0.0 110.716 179.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.822 HD23 HD11 ' A' ' 48' ' ' ILE . 15.5 mt -50.33 -37.23 35.69 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.014 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 27.0 t80 -71.42 -34.1 70.02 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.94 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 53.6 p -90.28 7.91 35.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.885 -179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.822 HD11 HD23 ' A' ' 45' ' ' LEU . 2.2 pp -135.24 -42.06 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.158 0 N-CA-C 111.686 0.254 . . . . 0.0 111.686 -179.823 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.433 ' N ' HD12 ' A' ' 48' ' ' ILE . . . -63.03 -33.67 75.92 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.759 0.314 . . . . 0.0 111.197 -179.832 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -47.79 -28.66 2.66 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.324 -0.398 . . . . 0.0 111.376 -179.866 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 13.4 mtmt -69.91 -29.81 67.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.32 -0.4 . . . . 0.0 111.117 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.557 HG21 ' CE2' ' A' ' 120' ' ' TYR . 4.4 m -128.61 25.49 2.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.373 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 2.5 ttmt -51.16 -37.45 46.42 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.243 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 21.5 m-20 -95.68 42.27 1.09 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.947 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 50.7 m-85 -154.02 -46.19 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.604 ' HB2' ' CE2' ' A' ' 120' ' ' TYR . . . -102.87 168.6 9.11 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.842 ' O ' HG23 ' A' ' 26' ' ' VAL . 4.1 p -146.23 86.6 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.773 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -80.09 156.32 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.961 179.843 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.773 ' N ' HD13 ' A' ' 58' ' ' ILE . 12.3 m-85 -164.0 123.69 2.05 Favored 'General case' 0 N--CA 1.448 -0.557 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.937 179.603 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.742 ' O ' HD23 ' A' ' 8' ' ' LEU . 8.8 mp -69.84 -179.58 1.88 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.073 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 21.6 t -152.87 137.25 9.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.977 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.604 ' O ' HG22 ' A' ' 66' ' ' VAL . 3.4 t0 -98.59 106.2 18.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.97 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.592 HG22 ' O ' ' A' ' 31' ' ' GLY . 0.8 OUTLIER -81.65 55.94 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.064 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 3.6 m -165.52 -43.92 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.579 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -89.26 -36.04 15.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.851 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 62' ' ' ASP . 21.6 m -57.53 154.09 26.07 Favored Pre-proline 0 N--CA 1.45 -0.452 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.253 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -60.1 -26.74 83.29 Favored 'Trans proline' 0 C--N 1.344 0.324 0 C-N-CA 122.475 2.117 . . . . 0.0 112.259 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 18.7 t0 -78.67 80.03 5.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.797 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -58.52 -75.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.971 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 10.4 p-10 -133.94 -46.65 0.79 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 6.2 mtpt 63.9 -79.18 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.879 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 14.7 mmt -105.42 -69.11 0.83 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.848 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -158.72 28.58 0.23 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.936 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.448 ' HB3' HD11 ' A' ' 63' ' ' ILE . 2.0 mm-40 -49.3 -34.05 14.58 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.307 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.404 ' O ' ' CB ' ' A' ' 76' ' ' TYR . 1.3 mt -73.43 -170.26 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.976 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' CB ' ' O ' ' A' ' 75' ' ' LEU . 1.4 t80 79.76 -55.04 0.4 Allowed 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.063 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.65 139.0 91.09 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.8 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 69.2 Cg_endo -74.68 -45.2 0.32 Allowed 'Trans proline' 0 C--N 1.344 0.317 0 C-N-CA 122.53 2.153 . . . . 0.0 112.434 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.4 m -164.86 166.16 19.87 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 8.9 t -177.24 147.32 0.54 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.766 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.41 HG12 ' N ' ' A' ' 82' ' ' MET . 21.5 t -115.76 154.58 17.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.362 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.41 ' N ' HG12 ' A' ' 81' ' ' VAL . 6.4 ptm -152.14 170.54 19.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.75 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.662 ' O ' HG23 ' A' ' 90' ' ' ILE . 14.4 m-85 -129.12 156.29 44.11 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.01 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.622 ' HD1' HD13 ' A' ' 28' ' ' ILE . 4.0 m-85 -141.07 165.86 26.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.751 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.617 ' CD1' HG13 ' A' ' 25' ' ' VAL . 0.6 OUTLIER -147.25 -171.85 3.88 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.244 -179.947 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.42 81.8 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.248 0 CA-C-O 120.846 0.355 . . . . 0.0 110.975 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.492 ' N ' ' O ' ' A' ' 85' ' ' PHE . 8.5 t-20 56.58 41.85 27.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 -179.63 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -128.86 117.98 21.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.402 ' O ' ' CD2' ' A' ' 89' ' ' HIS . 0.4 OUTLIER -68.04 127.85 34.37 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.997 -179.915 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.662 HG23 ' O ' ' A' ' 83' ' ' PHE . 3.0 tt -157.56 68.86 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.007 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.9 mtt -74.14 78.03 1.76 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.938 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.596 HG22 ' HB2' ' A' ' 83' ' ' PHE . 8.0 tp -107.16 122.45 61.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.047 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 24.9 p30 -59.99 -179.77 0.11 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.924 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.678 HD21 ' HG3' ' A' ' 41' ' ' MET . 46.1 mt -60.06 -27.16 66.72 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.008 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 167.35 -153.45 22.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.642 -0.789 . . . . 0.0 112.506 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.441 HG22 ' H ' ' A' ' 97' ' ' GLY . 0.2 OUTLIER -127.57 -172.65 2.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.722 0.296 . . . . 0.0 110.974 179.975 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . 0.441 ' H ' HG22 ' A' ' 96' ' ' THR . . . 137.65 -127.13 3.81 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.454 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -60.13 -31.47 70.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.843 0.354 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -153.38 133.46 13.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.836 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -59.53 -75.9 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.855 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.95 94.9 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.275 -179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.511 HG21 HD12 ' A' ' 94' ' ' LEU . 27.8 mm -71.9 92.46 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.127 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.556 ' O ' HG21 ' A' ' 37' ' ' THR . 19.8 p30 -109.2 -29.04 8.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.87 179.837 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.42 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 0.0 OUTLIER -94.42 -24.69 17.23 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.05 179.926 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.553 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.43 137.29 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.327 -0.397 . . . . 0.0 111.308 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.9 mtm -175.18 158.21 2.37 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.621 179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 68.51 9.64 7.41 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.382 -0.372 . . . . 0.0 111.454 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.839 ' HB2' HG21 ' A' ' 44' ' ' VAL . 3.4 p30 -47.23 154.68 0.37 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.421 -179.662 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.605 ' N ' HG11 ' A' ' 44' ' ' VAL . 4.2 tttt 87.35 -42.4 0.03 OUTLIER 'General case' 0 N--CA 1.466 0.373 0 CA-C-N 115.901 -0.59 . . . . 0.0 110.913 -179.729 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -90.2 -72.26 0.58 Allowed 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.998 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 8.9 tt0 -56.29 -29.73 61.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.185 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.612 ' O ' HD12 ' A' ' 116' ' ' ILE . 18.4 mmt -67.04 -61.51 1.89 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.6 HG23 ' O ' ' A' ' 109' ' ' LYS . 96.5 t -48.16 -37.5 7.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.025 179.763 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -74.7 -42.23 58.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.043 -0.526 . . . . 0.0 111.255 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.872 ' O ' HG23 ' A' ' 119' ' ' VAL . 0.3 OUTLIER -67.78 -46.92 81.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.8 0.333 . . . . 0.0 111.366 -179.67 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -58.98 -38.37 73.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.176 -179.472 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -61.33 -51.44 68.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.029 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -63.5 -32.14 73.51 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.083 -179.76 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.872 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.6 t -75.94 -55.4 11.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.334 -0.393 . . . . 0.0 111.196 -179.784 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.736 ' CD1' HG21 ' A' ' 25' ' ' VAL . 7.8 m-30 -70.63 -61.99 1.56 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.054 -179.738 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 3.1 ttt180 -56.77 -33.27 66.45 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-N 115.808 -0.633 . . . . 0.0 110.959 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -80.54 -51.17 5.01 Favored Glycine 0 N--CA 1.45 -0.42 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.41 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.463 ' HB3' ' O ' ' A' ' 119' ' ' VAL . . . -90.03 51.04 1.97 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 0.0 111.083 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 24.4 mtt180 -72.88 -73.48 0.2 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.883 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.3 mtpm? -109.23 -63.19 1.38 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.823 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 154.62 135.91 2.15 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.639 -0.791 . . . . 0.0 112.434 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 25.0 mtp180 -147.4 -50.02 0.18 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.902 0.382 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.025 0 CA-C-O 118.357 -1.246 . . . . 0.02 112.568 -179.977 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m . . . . . 0 N--CA 1.486 1.367 0 CA-C-O 120.795 0.331 . . . . 0.0 111.149 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -60.23 159.97 9.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.924 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 17.7 mtt -133.56 -77.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.962 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.2 pp -50.03 106.28 0.62 Allowed Pre-proline 0 C--N 1.331 -0.224 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.266 -179.814 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HG2' ' CD2' ' A' ' 59' ' ' TYR . 60.2 Cg_endo -72.32 143.29 38.93 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.458 2.106 . . . . 0.0 112.352 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -110.06 -169.7 1.52 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.949 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.514 HD13 ' HB3' ' A' ' 13' ' ' GLN . 1.8 mm? -119.32 -173.27 2.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.729 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.0 m170 -154.46 -52.73 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.008 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.791 ' O ' HG23 ' A' ' 14' ' ' VAL . 13.8 m-20 -155.2 -174.94 5.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.933 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.68 -29.98 55.39 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.815 -0.707 . . . . 0.0 112.575 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -60.34 -50.49 73.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.903 0.383 . . . . 0.0 110.877 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.514 ' HB3' HD13 ' A' ' 8' ' ' LEU . 23.6 mm-40 -69.84 -33.37 72.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.832 179.866 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.791 HG23 ' O ' ' A' ' 10' ' ' ASN . 26.8 t -64.74 -49.2 81.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.025 179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -60.7 -30.09 69.73 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.817 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -85.29 -27.93 25.63 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.967 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -63.99 -46.32 85.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.053 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.744 HD11 ' HA ' ' A' ' 87' ' ' ASN . 20.2 tt -59.84 -31.67 47.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.976 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.564 ' CD2' HG23 ' A' ' 18' ' ' ILE . 3.8 mm? -90.11 -25.49 20.7 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.006 179.892 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.3 t -54.36 -28.81 45.62 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.243 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.479 ' HA ' HG21 ' A' ' 57' ' ' VAL . 9.1 pt-20 -56.48 167.07 0.76 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.353 -0.385 . . . . 0.0 111.003 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -95.33 33.81 1.52 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.829 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.2 t0 71.64 7.96 6.06 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.51 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.675 ' HG2' HG23 ' A' ' 25' ' ' VAL . 12.0 ttm105 -101.5 -85.91 0.42 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.732 -0.213 . . . . 0.0 111.342 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.847 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -134.69 178.2 5.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 121.016 0.436 . . . . 0.0 111.498 -179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.716 HG13 ' HB2' ' A' ' 84' ' ' PHE . 7.6 p -167.31 136.57 0.61 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.59 0 CA-C-N 115.935 -0.575 . . . . 0.0 110.925 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.753 ' O ' HD13 ' A' ' 28' ' ' ILE . 99.3 t -111.56 152.3 13.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.971 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.753 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.5 mm -141.48 132.64 27.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.074 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -105.89 129.59 54.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.953 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -108.09 115.13 29.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.922 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.36 -115.08 0.65 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.658 -0.782 . . . . 0.0 112.514 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 15.8 t60 -167.38 156.65 10.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.853 0.359 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -60.31 -31.2 70.04 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.97 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 7.8 m95 -66.07 -32.28 73.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.938 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 65.5 m-20 -59.96 148.33 77.32 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.916 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 47.0 Cg_endo -69.12 -48.44 0.85 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.576 2.184 . . . . 0.0 112.306 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 10.9 m -56.1 -34.78 66.34 Favored 'General case' 0 N--CA 1.453 -0.32 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.909 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.0 t -76.52 -31.21 57.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.921 -0.581 . . . . 0.0 110.858 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.4 -34.85 35.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.838 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.859 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -65.39 -49.72 68.22 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.778 -179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.526 ' SD ' HD13 ' A' ' 94' ' ' LEU . 26.3 ttt -63.28 -53.15 57.3 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.95 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.625 ' OD2' HD13 ' A' ' 5' ' ' LEU . 5.6 m-20 -58.7 -43.69 90.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.095 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -58.33 -31.46 67.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.274 -0.421 . . . . 0.0 111.041 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.924 HG21 ' CB ' ' A' ' 108' ' ' ASP . 20.8 t -86.38 -46.27 16.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.086 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.568 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 78.9 mt -49.69 -40.93 41.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.09 179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -60.42 -41.51 94.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.035 0.445 . . . . 0.0 110.806 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.9 t -90.11 9.56 27.78 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.897 -0.592 . . . . 0.0 111.264 179.738 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.884 HG22 ' O ' ' A' ' 44' ' ' VAL . 3.3 tp -161.51 49.68 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-O 121.031 0.443 . . . . 0.0 111.003 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.681 ' O ' HG22 ' A' ' 52' ' ' VAL . . . -101.11 -32.94 10.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.091 -0.504 . . . . 0.0 111.172 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -47.75 -28.77 2.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.339 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.435 ' HD2' HG13 ' A' ' 113' ' ' VAL . 4.8 mttp -70.85 -47.03 61.55 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.992 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 1.034 HG12 HG21 ' A' ' 116' ' ' ILE . 35.2 m -69.95 -26.93 31.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.151 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.91 137.75 16.29 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.286 -0.416 . . . . 0.0 111.303 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 2.4 t30 61.78 31.8 18.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.985 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 68.2 m-85 -151.21 -44.98 0.11 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.006 0.432 . . . . 0.0 110.987 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -150.69 157.48 43.01 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.062 -0.517 . . . . 0.0 111.02 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.7 ' O ' HG23 ' A' ' 26' ' ' VAL . 2.9 m -126.98 122.23 59.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.941 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.796 HD13 ' N ' ' A' ' 59' ' ' TYR . 0.0 OUTLIER -102.84 157.87 4.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.217 -179.638 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.796 ' N ' HD13 ' A' ' 58' ' ' ILE . 36.1 m-85 -158.02 135.56 10.38 Favored 'General case' 0 N--CA 1.446 -0.653 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.561 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.621 HD22 ' N ' ' A' ' 60' ' ' LEU . 2.4 mm? -86.98 132.04 33.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.859 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.402 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 21.7 t -110.72 128.4 67.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.22 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 -88.06 117.25 26.81 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.44 HG22 ' O ' ' A' ' 63' ' ' ILE . 30.8 mt -83.59 56.63 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.109 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 70.6 m -164.02 -48.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.679 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -90.02 -31.84 17.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.77 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.491 ' N ' ' HD2' ' A' ' 67' ' ' PRO . 24.6 t -73.88 -48.95 6.2 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.496 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.491 ' HD2' ' N ' ' A' ' 66' ' ' VAL . 72.9 Cg_endo -76.15 130.73 12.37 Favored 'Trans proline' 0 C--N 1.347 0.497 0 C-N-CA 122.218 1.945 . . . . 0.0 112.384 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -76.12 -31.05 58.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.926 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 12.0 p90 -125.07 74.95 1.4 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.841 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -95.93 -28.46 14.67 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.001 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.4 mttm -55.45 -23.93 28.0 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.117 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -58.35 -79.6 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.975 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -156.6 25.96 0.34 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.008 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.49 -68.5 0.17 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 121.06 0.457 . . . . 0.0 111.181 -179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.553 ' H ' HD23 ' A' ' 75' ' ' LEU . 1.2 pt? -61.13 155.81 19.71 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 115.655 -0.702 . . . . 0.0 110.975 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 12.7 t80 -176.71 -68.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -89.99 161.06 39.28 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.849 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_exo -52.18 -52.49 8.81 Favored 'Trans proline' 0 C--N 1.344 0.34 0 C-N-CA 122.514 2.143 . . . . 0.0 112.272 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -176.75 177.55 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.828 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.9 t -175.83 149.45 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.014 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.844 ' CG1' HD13 ' A' ' 102' ' ' ILE . 7.6 p -103.35 163.22 3.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.421 ' N ' HG22 ' A' ' 81' ' ' VAL . 1.3 mtt -144.88 150.81 37.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.141 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.648 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 5.3 m-85 -127.16 140.26 52.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.75 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.716 ' HB2' HG13 ' A' ' 26' ' ' VAL . 2.9 m-85 -127.38 145.54 50.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.98 -179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.451 ' CD1' ' N ' ' A' ' 86' ' ' ARG . 3.2 t80 -151.35 143.01 23.68 Favored 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.655 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.451 ' N ' ' CD1' ' A' ' 85' ' ' PHE . 0.0 OUTLIER 49.98 38.71 17.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.22 179.849 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.744 ' HA ' HD11 ' A' ' 18' ' ' ILE . 10.8 t-20 59.99 31.5 20.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.939 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 34.0 mttp -129.71 -177.44 4.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.875 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CD2' ' CZ ' ' A' ' 84' ' ' PHE . 15.3 m170 -100.35 154.07 18.8 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.955 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 83' ' ' PHE . 14.4 tt -169.82 137.65 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.04 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 3.0 mmt -96.1 127.45 42.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.967 -179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.522 HD12 ' CD2' ' A' ' 83' ' ' PHE . 22.6 mt -150.3 135.55 10.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.071 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 7.4 p-10 -92.81 146.16 23.85 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.947 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.577 HD12 ' SD ' ' A' ' 112' ' ' MET . 0.6 OUTLIER -105.98 -29.25 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.927 -179.994 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -131.07 -97.55 0.75 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.49 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.462 HG23 ' O ' ' A' ' 106' ' ' MET . 32.6 p -132.48 -172.33 2.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.827 0.346 . . . . 0.0 110.869 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -174.62 175.58 46.86 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.461 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 57.4 m-80 -91.07 -74.62 0.49 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.867 0.365 . . . . 0.0 110.908 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 3.4 p30 -98.85 -46.59 5.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 48.5 t-20 -160.36 -67.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.994 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -49.96 146.05 5.07 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.264 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.844 HD13 ' CG1' ' A' ' 81' ' ' VAL . 3.9 mp -90.01 71.76 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.19 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 35.0 p-10 -91.17 -35.52 14.49 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 110.614 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 6.6 m95 -105.77 73.86 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.543 179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -54.55 139.6 37.52 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.034 -0.53 . . . . 0.0 111.477 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . 0.462 ' O ' HG23 ' A' ' 96' ' ' THR . 0.0 OUTLIER -171.73 161.56 6.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 115.97 -0.559 . . . . 0.0 110.71 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 70.62 9.52 6.9 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.378 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.924 ' CB ' HG21 ' A' ' 44' ' ' VAL . 93.7 m-20 -51.25 159.79 0.62 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.138 -179.798 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.683 ' N ' HG11 ' A' ' 44' ' ' VAL . 0.0 OUTLIER 88.05 -44.22 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.296 0 CA-C-N 115.801 -0.636 . . . . 0.0 110.499 -179.593 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 1.1 mt-30 -90.21 -64.44 1.14 Allowed 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.645 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -63.88 -33.77 76.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.772 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.692 ' O ' HD12 ' A' ' 116' ' ' ILE . 1.9 mtm -60.41 -51.24 70.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.753 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.622 HG23 ' O ' ' A' ' 109' ' ' LYS . 92.5 t -56.61 -41.21 73.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.949 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -74.23 -28.16 61.11 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 179.807 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.894 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.9 mm -72.77 -60.32 2.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.591 179.705 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 1.034 HG21 HG12 ' A' ' 52' ' ' VAL . 3.2 mt -52.65 -31.0 15.57 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 CA-C-N 115.65 -0.705 . . . . 0.0 111.143 -179.444 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -67.3 -47.46 70.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.768 179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 31.1 m -72.64 -27.83 62.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.893 179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.894 HG23 ' O ' ' A' ' 115' ' ' ILE . 40.8 t -69.27 -42.81 81.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.267 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -68.01 -36.09 79.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.799 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -32.87 56.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.917 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.44 -42.15 7.54 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.459 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.15 51.86 2.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.914 0.388 . . . . 0.0 111.051 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 5.0 mtt180 -94.37 162.61 13.76 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.867 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.2 tptm -100.88 -37.93 8.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.928 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -135.85 -128.46 2.75 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.528 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 31.5 mtp180 -131.02 -73.87 0.54 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.924 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.094 0 CA-C-O 118.37 -1.239 . . . . 0.02 112.591 179.907 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.487 1.386 0 CA-C-O 120.801 0.334 . . . . 0.0 111.137 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . 0.402 ' OH ' ' CE1' ' A' ' 7' ' ' HIS . 1.4 t80 -160.81 143.5 12.83 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.879 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.9 mtt -131.29 -75.59 0.52 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.481 HD21 ' CB ' ' A' ' 45' ' ' LEU . 2.7 mp -49.88 106.33 0.62 Allowed Pre-proline 0 C--N 1.33 -0.247 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.287 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.429 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.0 Cg_endo -72.93 134.1 21.04 Favored 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.451 2.1 . . . . 0.0 112.31 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 49.3 m170 -110.04 -177.58 3.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.891 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.803 HD12 HG22 ' A' ' 61' ' ' VAL . 5.1 mt -139.44 107.7 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 40.4 m-70 -101.49 31.41 3.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.921 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.61 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.8 t-20 -174.23 139.02 0.6 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.66 -32.87 75.07 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.543 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 38.0 m95 -60.83 -38.99 87.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.849 0.357 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -74.99 -31.56 61.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.938 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.61 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.3 t -67.79 -56.36 13.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.084 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 33.7 t70 -59.98 -31.37 69.84 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 80.0 mt-30 -72.42 -35.77 68.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -65.61 -36.7 84.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.14 -179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.605 HG21 ' CD2' ' A' ' 84' ' ' PHE . 28.3 mm -73.0 -56.87 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.137 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.439 ' C ' HD23 ' A' ' 19' ' ' LEU . 10.3 tt -59.31 -35.68 74.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 18.4 p -90.06 50.64 1.9 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.988 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -89.15 66.01 7.56 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.913 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 6.3 tt0 -79.88 61.04 3.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.841 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -155.59 -69.33 0.12 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.006 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.456 ' NH1' ' CE1' ' A' ' 120' ' ' TYR . 28.3 ttm180 -177.39 -71.64 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.03 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.583 HG13 ' HD2' ' A' ' 85' ' ' PHE . 0.2 OUTLIER -119.62 -176.91 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.82 179.984 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.753 HG13 ' HB2' ' A' ' 84' ' ' PHE . 8.8 p -165.44 135.78 0.73 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.695 0 CA-C-O 120.903 0.382 . . . . 0.0 111.32 179.678 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.876 HG13 ' CE1' ' A' ' 83' ' ' PHE . 0.0 OUTLIER -115.33 147.38 18.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.172 -179.788 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.774 HD13 ' O ' ' A' ' 27' ' ' VAL . 29.2 mm -138.22 103.99 2.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.768 179.802 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.889 ' NH2' HD11 ' A' ' 94' ' ' LEU . 7.2 ptp180 -102.23 112.41 25.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.153 -179.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.686 ' CD1' HD11 ' A' ' 63' ' ' ILE . 4.0 p90 -115.0 157.52 23.33 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 169.59 -77.83 0.1 Allowed Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.812 -0.708 . . . . 0.0 112.514 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -168.97 148.37 4.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.772 0.32 . . . . 0.0 110.932 179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -64.95 -38.08 89.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 13.2 t90 -104.77 36.37 2.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.949 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -89.98 146.19 34.63 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.816 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.5 Cg_endo -59.18 -64.37 0.11 Allowed 'Trans proline' 0 C--N 1.345 0.349 0 C-N-CA 122.546 2.164 . . . . 0.0 112.216 179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.736 HG23 ' HB3' ' A' ' 105' ' ' ALA . 86.7 m -55.26 -29.8 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.812 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 28.5 t -57.42 -47.93 80.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.818 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.5 mtt -64.69 -37.32 87.18 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.746 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.861 ' O ' HG23 ' A' ' 44' ' ' VAL . 0.1 OUTLIER -69.76 -37.95 76.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.737 179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.622 ' SD ' HD12 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -57.04 -65.2 0.66 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.955 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -53.18 -39.74 63.85 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.777 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -54.82 -35.68 64.18 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.201 179.532 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.922 HG12 HG12 ' A' ' 48' ' ' ILE . 14.4 t -77.03 -37.79 26.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 115.721 -0.672 . . . . 0.0 110.286 179.205 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.764 HD21 HG21 ' A' ' 58' ' ' ILE . 0.2 OUTLIER -46.27 -45.64 17.36 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 115.537 -0.756 . . . . 0.0 111.258 179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -63.69 -39.09 93.44 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.933 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.18 9.94 26.47 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.669 -179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.922 HG12 HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -154.42 38.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.332 -0.191 0 CA-C-O 120.75 0.31 . . . . 0.0 111.218 -179.907 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.615 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -112.02 -65.81 1.14 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.319 -179.805 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.5 mp0 -47.48 -27.25 1.66 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.592 -179.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.774 ' HG3' HG22 ' A' ' 52' ' ' VAL . 15.0 ptmt -47.88 -43.94 29.01 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.493 -0.321 . . . . 0.0 111.374 -179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.774 HG22 ' HG3' ' A' ' 51' ' ' LYS . 29.2 m -156.4 27.66 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.412 -0.358 . . . . 0.0 111.37 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.0 -26.67 6.35 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.453 -179.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 41.3 m-20 -79.11 -27.53 42.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.313 -0.403 . . . . 0.0 111.255 -179.724 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 40.4 m-85 -89.64 -45.18 9.54 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 111.006 -179.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -104.39 163.8 12.18 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.899 -0.591 . . . . 0.0 111.176 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.747 HG23 HG23 ' A' ' 26' ' ' VAL . 3.5 m -143.4 123.29 9.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.831 179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.764 HG21 HD21 ' A' ' 45' ' ' LEU . 14.5 tt -108.5 161.67 6.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-O 120.965 0.412 . . . . 0.0 111.438 -179.561 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.454 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 97.7 m-85 -160.08 144.06 14.31 Favored 'General case' 0 N--CA 1.444 -0.748 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.028 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.751 HD13 ' HG3' ' A' ' 29' ' ' ARG . 4.3 mm? -90.62 152.47 20.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.028 -0.533 . . . . 0.0 110.676 179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.803 HG22 HD12 ' A' ' 8' ' ' LEU . 8.9 t -142.99 115.29 3.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.113 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -94.55 121.68 36.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.782 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.686 HD11 ' CD1' ' A' ' 30' ' ' PHE . 39.5 mt -67.47 -11.92 14.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.633 -179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 26.2 m -87.4 -38.77 15.86 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 120.82 0.343 . . . . 0.0 110.863 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.647 ' HG3' HG23 ' A' ' 66' ' ' VAL . 21.1 pt-20 -89.99 -46.77 8.28 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.986 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.647 HG23 ' HG3' ' A' ' 65' ' ' GLU . 21.7 t -90.03 111.64 47.82 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.16 -179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 36.9 Cg_exo -57.58 85.69 0.05 OUTLIER 'Trans proline' 0 C--N 1.347 0.449 0 C-N-CA 122.474 2.116 . . . . 0.0 112.184 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . 0.452 ' HB2' HG23 ' A' ' 63' ' ' ILE . 14.2 m-20 -73.93 -71.35 0.33 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -177.06 40.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.927 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 33.7 m-80 -59.38 -62.18 2.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt 63.77 -79.2 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.983 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 4.6 mtp -109.0 -61.54 1.6 Allowed 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.874 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -161.18 30.1 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -48.44 -33.71 9.77 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.263 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.438 ' O ' HD23 ' A' ' 75' ' ' LEU . 6.3 tt -67.33 77.29 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 28.9 p90 -110.27 -31.07 7.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.998 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -84.23 134.64 42.88 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.47 -62.03 0.34 Allowed 'Trans proline' 0 C--N 1.347 0.459 0 C-N-CA 122.392 2.061 . . . . 0.0 112.337 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 2.0 t -154.2 168.12 27.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.877 -179.903 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.471 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 12.0 t -166.72 155.79 10.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.836 179.803 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.498 HG12 ' N ' ' A' ' 82' ' ' MET . 20.4 t -115.21 160.79 14.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.291 -179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.498 ' N ' HG12 ' A' ' 81' ' ' VAL . 8.2 mtt -152.71 142.88 22.39 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.72 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.876 ' CE1' HG13 ' A' ' 27' ' ' VAL . 1.1 m-85 -107.88 147.41 31.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.444 -0.344 . . . . 0.0 110.934 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.753 ' HB2' HG13 ' A' ' 26' ' ' VAL . 4.1 m-85 -138.69 138.84 38.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.583 ' HD2' HG13 ' A' ' 25' ' ' VAL . 3.5 t80 -144.48 142.38 30.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.747 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 1.3 mtt85 52.15 33.82 13.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.082 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 59.0 t30 63.89 41.37 6.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.875 -179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 2.8 ttmt -145.82 140.02 26.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.912 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.442 ' HB3' ' CZ ' ' A' ' 84' ' ' PHE . 24.1 p-80 -64.28 147.37 52.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.905 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.57 HG22 ' O ' ' A' ' 83' ' ' PHE . 8.6 tp -153.66 143.25 14.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.221 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.7 ttp -59.4 -160.69 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.924 -0.58 . . . . 0.0 111.02 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . . . . . . . . . 31.2 mm 73.68 138.62 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.213 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.202 -179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.721 ' OD2' HD13 ' A' ' 102' ' ' ILE . 82.3 m-20 -142.49 -172.49 3.63 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.658 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.889 HD11 ' NH2' ' A' ' 29' ' ' ARG . 45.3 mt -59.72 -30.03 68.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.863 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -100.1 149.87 18.83 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.467 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 77.8 m -66.48 -69.84 0.28 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 0.0 110.999 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 175.08 44.04 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.544 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -60.21 -31.75 70.45 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.826 0.346 . . . . 0.0 110.842 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 23.7 m-20 -155.72 31.34 0.36 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.849 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 62.43 -81.28 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.239 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 10.6 mtpp -50.03 99.56 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.253 -179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.721 HD13 ' OD2' ' A' ' 93' ' ' ASP . 3.5 mp -78.21 70.61 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 121.045 0.45 . . . . 0.0 111.163 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.648 ' O ' HG21 ' A' ' 37' ' ' THR . 59.8 m-20 -110.01 -47.09 3.37 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.365 179.641 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 5.7 m-90 -89.59 117.99 28.89 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.185 179.343 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.736 ' HB3' HG23 ' A' ' 37' ' ' THR . . . -120.14 134.6 55.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.97 0.414 . . . . 0.0 111.496 -179.313 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 2.7 ttp -166.14 47.36 0.07 Allowed 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.635 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 108' ' ' ASP . 39.1 mp0 -134.39 13.1 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.986 -0.552 . . . . 0.0 111.29 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.842 ' OD1' HG13 ' A' ' 44' ' ' VAL . 67.5 t0 -30.23 131.36 0.08 Allowed 'General case' 0 N--CA 1.467 0.414 0 CA-C-N 115.861 -0.608 . . . . 0.0 112.442 -179.519 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.432 ' HA ' HG23 ' A' ' 113' ' ' VAL . 7.1 tttm 84.51 -32.76 0.06 Allowed 'General case' 0 N--CA 1.466 0.358 0 CA-C-N 115.728 -0.669 . . . . 0.0 111.854 179.593 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 7.6 mm-40 -90.68 -82.33 0.29 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.844 0.354 . . . . 0.0 111.528 -179.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -55.53 -57.96 9.76 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.441 -179.382 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.705 ' CG ' HG11 ' A' ' 44' ' ' VAL . 0.6 OUTLIER -47.81 -62.79 1.29 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.322 -0.399 . . . . 0.0 111.131 -179.8 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.543 HG22 HG22 ' A' ' 48' ' ' ILE . 95.3 t -48.47 -37.36 7.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.257 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -71.95 -44.91 62.81 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.598 -179.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.453 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 4.8 tp -68.16 -46.82 80.62 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 N-CA-C 111.713 0.264 . . . . 0.0 111.713 -179.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.781 HD11 HD13 ' A' ' 48' ' ' ILE . 3.6 mt -56.77 -41.09 74.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.893 0.378 . . . . 0.0 111.046 -179.476 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 10.9 tt0 -61.05 -42.6 98.78 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.738 179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.2 m -65.52 -46.1 80.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.825 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.427 HG23 ' O ' ' A' ' 115' ' ' ILE . 49.0 t -66.49 -38.97 82.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.932 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.456 ' CE1' ' NH1' ' A' ' 24' ' ' ARG . 21.2 t80 -62.27 -69.91 0.23 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.946 -179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 20.5 mmt180 -56.87 -32.67 66.07 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -74.5 -46.87 17.87 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.565 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 53.74 2.62 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.864 0.364 . . . . 0.0 111.11 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 10.6 mmt85 -69.13 -63.64 1.02 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.905 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.89 -46.75 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -162.0 -49.53 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.554 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 34.0 mtt85 -150.68 93.93 2.02 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.818 0.342 . . . . 0.0 110.921 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.047 0 CA-C-O 118.434 -1.203 . . . . 0.02 112.48 -179.949 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 m . . . . . 0 N--CA 1.487 1.377 0 CA-C-O 120.815 0.341 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -160.07 103.74 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.905 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.426 ' HB2' ' CE2' ' A' ' 46' ' ' TYR . 2.0 mtm -170.16 -70.84 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.933 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.806 HD23 ' CE1' ' A' ' 46' ' ' TYR . 3.6 mm? -49.9 106.23 0.61 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.21 -179.832 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.435 ' HG2' ' CE1' ' A' ' 59' ' ' TYR . 71.4 Cg_endo -74.32 132.07 15.93 Favored 'Trans proline' 0 C--N 1.346 0.402 0 C-N-CA 122.546 2.164 . . . . 0.0 112.333 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.16 -178.18 3.45 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.965 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.886 HD22 HG22 ' A' ' 61' ' ' VAL . 7.1 mp -100.35 -175.43 2.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.794 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 1.5 t60 -164.88 -66.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.986 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.881 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.8 t-20 -115.94 164.96 13.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.932 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.89 -27.15 61.6 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.829 -0.7 . . . . 0.0 112.534 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -58.96 -45.77 89.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.801 0.334 . . . . 0.0 110.881 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.449 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 73.5 mt-30 -81.35 -31.37 33.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.881 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.9 t -66.36 -58.71 5.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.1 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.773 ' HA ' HD12 ' A' ' 18' ' ' ILE . 31.3 t0 -60.61 -40.72 92.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 62.3 mt-30 -70.0 -34.49 73.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.449 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.82 -38.06 80.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.129 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 15' ' ' ASP . 7.5 mt -59.84 -45.8 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.461 HD22 ' N ' ' A' ' 19' ' ' LEU . 3.7 mm? -87.63 7.16 31.13 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.461 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -90.2 17.63 6.86 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.67 -0.241 . . . . 0.0 111.431 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -75.73 76.59 2.7 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 120.848 0.356 . . . . 0.0 110.897 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -102.45 31.16 4.18 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -135.03 -53.07 0.79 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.439 ' HD3' ' CD1' ' A' ' 120' ' ' TYR . 0.0 OUTLIER 179.67 -75.21 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.983 179.958 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.882 HG23 ' HB2' ' A' ' 56' ' ' ALA . 0.0 OUTLIER -118.53 -174.74 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 CA-C-N 115.818 -0.628 . . . . 0.0 111.037 -179.89 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 57' ' ' VAL . 2.7 t -154.17 147.07 13.81 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.75 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.167 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.725 ' O ' HD13 ' A' ' 28' ' ' ILE . 79.6 t -127.19 149.15 32.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.955 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.725 HD13 ' O ' ' A' ' 27' ' ' VAL . 24.4 mm -143.04 135.22 24.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.064 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.616 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 24.1 ttp180 -112.0 138.91 47.98 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.932 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.57 ' HB3' HD11 ' A' ' 63' ' ' ILE . 37.1 m-85 -110.2 112.53 24.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.977 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 153.79 175.75 25.43 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.555 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 14.4 t-160 -97.27 144.53 26.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.774 0.321 . . . . 0.0 110.917 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -58.45 -30.25 66.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 10.5 t-105 -59.09 -28.96 66.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.022 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -58.48 149.6 59.96 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.953 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.1 Cg_endo -67.59 -47.2 2.17 Favored 'Trans proline' 0 C--N 1.343 0.267 0 C-N-CA 122.617 2.211 . . . . 0.0 112.278 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.581 HG23 ' HB2' ' A' ' 105' ' ' ALA . 87.1 m -55.14 -32.26 61.95 Favored 'General case' 0 N--CA 1.452 -0.328 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 77.3 m -73.99 -33.06 63.68 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.891 -0.595 . . . . 0.0 110.776 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 50.8 mtp -69.38 -35.32 75.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.728 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.4 tttt -85.92 -45.94 11.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.96 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.474 ' HE2' ' HG ' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -58.65 -65.91 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.943 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.558 ' HA ' HD12 ' A' ' 45' ' ' LEU . 2.6 t0 -50.22 -39.71 45.27 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.16 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -56.08 -31.04 62.86 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.684 179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.884 ' O ' HG22 ' A' ' 48' ' ' ILE . 6.5 t -73.38 -44.87 53.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.736 179.711 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.558 HD12 ' HA ' ' A' ' 42' ' ' ASP . 13.6 mt -48.85 -50.12 36.22 Favored 'General case' 0 C--N 1.332 -0.192 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.997 179.74 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.806 ' CE1' HD23 ' A' ' 5' ' ' LEU . 18.7 m-85 -53.95 -40.69 67.05 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.994 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -90.25 9.04 30.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 115.942 -0.572 . . . . 0.0 111.403 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.984 HD11 HG22 ' A' ' 113' ' ' VAL . 10.3 tp -161.12 47.52 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-O 121.001 0.429 . . . . 0.0 111.255 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.46 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -125.44 -42.68 1.95 Allowed 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.214 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 22.5 tt0 -46.73 -33.18 4.12 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.392 -179.767 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 30.7 mttt -70.82 -55.48 8.44 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.917 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.797 ' CG1' HG21 ' A' ' 116' ' ' ILE . 34.6 m -70.33 -19.07 21.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.466 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -47.49 -28.28 2.13 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.495 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.41 ' O ' ' CG ' ' A' ' 55' ' ' PHE . 9.5 m-20 -95.65 29.56 2.59 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.108 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.41 ' CG ' ' O ' ' A' ' 54' ' ' ASN . 69.1 m-85 -157.22 -67.04 0.1 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.073 0.463 . . . . 0.0 110.839 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.882 ' HB2' HG23 ' A' ' 25' ' ' VAL . . . -102.11 169.2 8.89 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 115.672 -0.695 . . . . 0.0 110.983 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.786 HG13 HG13 ' A' ' 26' ' ' VAL . 7.1 p -148.01 99.73 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.392 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.806 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.593 HD12 HG11 ' A' ' 27' ' ' VAL . 11.3 tt -76.35 165.79 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.965 -0.561 . . . . 0.0 111.319 -179.632 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.737 ' CE2' HG22 ' A' ' 57' ' ' VAL . 60.4 m-85 -160.6 117.79 2.42 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.758 179.454 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.616 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 3.3 mm? -72.25 153.47 41.54 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.823 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.886 HG22 HD22 ' A' ' 8' ' ' LEU . 21.4 t -138.23 138.57 43.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.117 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.476 ' O ' HG23 ' A' ' 66' ' ' VAL . 68.3 m-20 -98.5 115.7 29.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.893 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.57 HD11 ' HB3' ' A' ' 30' ' ' PHE . 31.2 mt -75.24 -31.97 25.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.163 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.6 m -88.09 -40.66 13.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.75 -38.57 86.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.476 HG23 ' O ' ' A' ' 62' ' ' ASP . 21.6 t -90.0 111.68 47.96 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.086 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_exo -52.21 -43.51 52.85 Favored 'Trans proline' 0 C--N 1.347 0.489 0 C-N-CA 122.386 2.057 . . . . 0.0 112.322 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.4 t0 -60.42 -178.02 0.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.912 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 60.2 93.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.892 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -162.01 -48.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.849 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER 63.92 -79.24 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.008 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.413 ' HG3' ' CD2' ' A' ' 73' ' ' TYR . 3.4 ptt? -138.44 -50.13 0.55 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.924 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.413 ' CD2' ' HG3' ' A' ' 72' ' ' MET . 17.3 p90 -165.59 33.29 0.05 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.913 179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -47.73 -31.53 4.88 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.256 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.557 ' HG ' HG21 ' A' ' 63' ' ' ILE . 7.4 mp -72.57 119.17 16.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -172.22 -61.23 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.904 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -60.21 149.03 77.2 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.842 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_exo -52.58 -61.73 0.45 Allowed 'Trans proline' 0 C--N 1.345 0.37 0 C-N-CA 122.497 2.131 . . . . 0.0 112.288 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.8 t -168.86 169.64 9.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.891 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.8 t -176.81 152.26 0.95 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.958 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.819 HG21 HD11 ' A' ' 94' ' ' LEU . 27.8 t -119.15 156.69 21.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.1 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.441 ' N ' HG12 ' A' ' 81' ' ' VAL . 27.3 mtt -150.85 158.1 43.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.77 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.615 ' CD2' HG22 ' A' ' 27' ' ' VAL . 4.6 m-85 -109.62 156.68 19.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.662 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.429 ' CD1' ' HG3' ' A' ' 88' ' ' LYS . 23.7 m-85 -137.23 149.07 46.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.828 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.63 ' CD2' ' HB1' ' A' ' 123' ' ' ALA . 43.1 t80 -152.6 153.03 32.54 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.141 -179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.425 ' O ' ' CB ' ' A' ' 87' ' ' ASN . 0.9 OUTLIER 41.56 36.08 0.53 Allowed 'General case' 0 C--N 1.333 -0.13 0 CA-C-O 120.979 0.419 . . . . 0.0 110.67 -179.735 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.425 ' CB ' ' O ' ' A' ' 86' ' ' ARG . 7.7 t-20 82.59 51.19 0.02 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 115.591 -0.731 . . . . 0.0 110.666 -179.256 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.429 ' HG3' ' CD1' ' A' ' 84' ' ' PHE . 12.8 tttp 79.23 113.83 0.07 Allowed 'General case' 0 N--CA 1.463 0.217 0 CA-C-N 115.744 -0.662 . . . . 0.0 111.119 179.82 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.41 ' CG ' ' O ' ' A' ' 88' ' ' LYS . 1.5 m170 -176.15 36.55 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.151 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.639 ' CD1' HG23 ' A' ' 119' ' ' VAL . 1.6 tt -176.98 58.83 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.995 0.426 . . . . 0.0 111.336 179.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -72.86 64.91 0.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.843 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.622 HD13 HD11 ' A' ' 115' ' ' ILE . 18.5 tt -105.88 143.36 17.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.04 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -60.02 173.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.948 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.819 HD11 HG21 ' A' ' 81' ' ' VAL . 8.2 mt -59.97 -28.02 67.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.013 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.32 -133.66 3.34 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.572 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 18.0 p -60.38 102.07 0.16 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.766 0.317 . . . . 0.0 110.893 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -99.54 28.57 14.86 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.665 -0.779 . . . . 0.0 112.484 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -75.92 -34.22 59.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.762 0.315 . . . . 0.0 110.894 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 6.7 p30 -164.58 -44.33 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.904 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -85.94 68.85 10.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.853 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 9.1 mptt -49.94 161.42 0.25 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.253 -179.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . . . . . . . . . 39.4 mm -90.07 79.42 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.038 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.562 ' O ' HG21 ' A' ' 37' ' ' THR . 18.2 p30 -104.21 -26.87 12.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.898 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 0.1 OUTLIER -91.45 -23.69 19.93 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.277 -0.419 . . . . 0.0 111.114 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.581 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 65.09 115.27 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.332 -0.395 . . . . 0.0 111.209 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 1.8 ttt -179.21 129.72 0.1 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.8 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 71.38 8.81 6.4 Favored 'General case' 0 C--N 1.332 -0.195 0 CA-C-N 116.317 -0.402 . . . . 0.0 111.407 -179.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' HB2' HG21 ' A' ' 44' ' ' VAL . 5.5 m-20 -53.03 -25.09 11.2 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.41 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.578 ' N ' HG11 ' A' ' 44' ' ' VAL . 32.6 ttmt -51.93 -39.59 59.43 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.835 0.35 . . . . 0.0 111.153 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -90.19 -44.87 9.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.901 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 48.6 mm-40 -59.92 -38.47 82.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.079 -179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.848 ' O ' HD12 ' A' ' 116' ' ' ILE . 6.0 mtp -59.39 -57.31 13.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.984 HG22 HD11 ' A' ' 48' ' ' ILE . 25.4 t -50.06 -36.08 11.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.464 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -79.47 -43.93 22.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.741 -179.445 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.622 HD11 HD13 ' A' ' 92' ' ' ILE . 5.5 tp -66.6 -47.59 82.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.783 0.325 . . . . 0.0 111.517 -179.469 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.848 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -66.71 -31.33 53.05 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.369 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.021 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 43.5 tt0 -75.02 -33.32 61.77 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.95 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.4 m -83.95 -32.75 24.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.929 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.639 HG23 ' CD1' ' A' ' 90' ' ' ILE . 0.8 OUTLIER -69.13 -45.6 79.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 121.069 0.461 . . . . 0.0 110.949 -179.927 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.459 ' N ' ' CG1' ' A' ' 119' ' ' VAL . 0.0 OUTLIER -68.7 -41.74 78.73 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.707 -0.679 . . . . 0.0 110.875 -179.868 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.9 mtt180 -67.55 -33.86 75.9 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.958 -179.844 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -87.58 -46.82 4.78 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.497 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.63 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -90.02 51.98 2.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.865 0.364 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.3 ptp85 -94.23 -174.51 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 6.3 ttmm 60.56 95.46 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -105.52 -28.56 5.38 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.447 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 29.7 ptt-85 -131.54 -46.56 0.97 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.784 0.326 . . . . 0.0 110.916 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.049 0 CA-C-O 118.373 -1.237 . . . . 0.02 112.52 179.988 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 N--CA 1.488 1.445 0 CA-C-O 120.817 0.341 . . . . 0.0 111.171 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -118.34 143.35 46.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 3.6 mmt 63.8 -79.43 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.954 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.455 HD11 ' HB2' ' A' ' 46' ' ' TYR . 10.9 mp -49.92 106.36 0.62 Allowed Pre-proline 0 C--N 1.331 -0.204 0 CA-C-N 116.35 -0.387 . . . . 0.0 111.255 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -72.87 131.42 16.98 Favored 'Trans proline' 0 C--N 1.346 0.407 0 C-N-CA 122.441 2.094 . . . . 0.0 112.328 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 10.4 p-80 -110.09 175.39 5.45 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.035 HD13 HG22 ' A' ' 14' ' ' VAL . 75.7 mt -104.42 -78.73 0.56 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.885 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 22.8 m80 61.05 33.19 19.71 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.951 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.892 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.1 OUTLIER -175.27 133.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.978 179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.43 -44.1 98.01 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.803 -0.713 . . . . 0.0 112.504 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 45.2 t-105 -59.79 -34.6 73.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.8 0.333 . . . . 0.0 110.781 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.472 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 17.9 mm-40 -76.7 -31.77 57.43 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.949 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.035 HG22 HD13 ' A' ' 8' ' ' LEU . 25.6 t -73.52 -55.96 10.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.111 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.469 ' HA ' HD12 ' A' ' 18' ' ' ILE . 37.4 t0 -57.33 -30.2 64.6 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.027 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 1.7 mm100 -86.95 -36.88 18.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.472 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -59.21 -35.52 73.76 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.187 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.474 HG22 ' HA ' ' A' ' 87' ' ' ASN . 8.9 mt -66.11 -66.87 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.085 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.592 HD23 ' O ' ' A' ' 19' ' ' LEU . 5.8 tt -59.09 -20.81 56.78 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.275 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 27.1 t -84.42 56.94 4.02 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.87 0.367 . . . . 0.0 110.957 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.15 124.57 18.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.875 179.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.411 ' HB2' HG11 ' A' ' 57' ' ' VAL . 5.3 tm-20 -57.3 -31.58 65.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.061 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 t70 -179.57 -35.18 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.375 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 20.8 mtt-85 -132.65 -81.83 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.844 0.354 . . . . 0.0 111.36 -179.691 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.834 HG23 ' HB3' ' A' ' 85' ' ' PHE . 0.5 OUTLIER -121.38 -168.03 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-O 121.176 0.512 . . . . 0.0 111.321 -179.716 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 57' ' ' VAL . 11.3 p -166.34 144.06 1.36 Allowed 'Isoleucine or valine' 0 N--CA 1.444 -0.733 0 CA-C-N 115.656 -0.702 . . . . 0.0 111.65 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.684 HG22 ' CZ ' ' A' ' 83' ' ' PHE . 64.9 t -106.04 158.17 6.39 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 115.585 -0.734 . . . . 0.0 110.947 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.569 ' O ' HG23 ' A' ' 28' ' ' ILE . 5.9 tt -150.2 111.58 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.074 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 ttp180 -91.75 126.47 36.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.889 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.585 ' CE1' HG11 ' A' ' 61' ' ' VAL . 61.9 m-85 -105.24 111.65 24.47 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 174.82 166.22 32.37 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.453 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 13.6 m170 -84.48 133.43 34.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.786 0.327 . . . . 0.0 110.908 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 62.1 m-20 -65.75 78.68 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -177.89 -39.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.23 163.65 4.39 Favored Pre-proline 0 C--N 1.33 -0.243 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.93 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.35 -48.83 2.17 Favored 'Trans proline' 0 C--N 1.344 0.315 0 C-N-CA 122.579 2.186 . . . . 0.0 112.295 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.612 HG21 ' O ' ' A' ' 103' ' ' ASN . 32.9 m -55.34 -31.81 62.02 Favored 'General case' 0 N--CA 1.453 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.883 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 1.7 m -73.62 -31.73 63.7 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.18 28.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.92 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.57 ' O ' HG23 ' A' ' 44' ' ' VAL . 31.0 mtpt -67.48 -51.61 49.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.573 ' CE ' HG22 ' A' ' 102' ' ' ILE . 42.5 mtt -60.06 -46.15 90.51 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.811 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -50.84 -46.08 59.97 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.171 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 30.5 mt-10 -59.79 -39.32 84.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.783 179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.845 ' O ' HG22 ' A' ' 48' ' ' ILE . 5.2 t -71.76 -56.69 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.715 179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.689 HD21 HD21 ' A' ' 94' ' ' LEU . 83.8 mt -46.46 -29.06 1.57 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.097 -0.502 . . . . 0.0 111.495 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.455 ' HB2' HD11 ' A' ' 5' ' ' LEU . 15.4 t80 -79.33 -44.0 22.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.929 0.395 . . . . 0.0 111.085 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 22.8 t -90.31 18.96 5.49 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.778 -179.762 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.845 HG22 ' O ' ' A' ' 44' ' ' VAL . 0.0 OUTLIER -140.14 -32.8 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 N-CA-C 111.848 0.314 . . . . 0.0 111.848 -179.824 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.45 ' HB2' HD13 ' A' ' 58' ' ' ILE . . . -57.23 -52.51 65.04 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.8 0.333 . . . . 0.0 111.215 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.8 mp0 -48.44 -27.6 2.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.573 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 38.2 mttt -54.46 -68.67 0.16 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.41 -0.359 . . . . 0.0 111.259 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 16.2 m -112.8 28.31 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.364 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 1.5 ttmt -49.92 -27.53 5.4 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.366 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 64.7 m-20 -69.6 -38.21 77.19 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.158 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 12.1 m-85 -93.15 -59.37 2.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.987 0.422 . . . . 0.0 111.013 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.44 ' CB ' HG12 ' A' ' 25' ' ' VAL . . . -104.59 149.15 25.76 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.726 -0.67 . . . . 0.0 111.152 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 1.094 HG23 HG23 ' A' ' 26' ' ' VAL . 2.5 m -128.35 -177.7 2.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.769 179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.588 HD12 ' C ' ' A' ' 57' ' ' VAL . 3.7 mp -147.38 159.63 8.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.75 0.31 . . . . 0.0 110.976 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.503 ' N ' HG22 ' A' ' 58' ' ' ILE . 93.5 m-85 -160.43 144.68 14.16 Favored 'General case' 0 N--CA 1.445 -0.697 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.97 179.571 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 4.9 mt -92.8 163.77 13.6 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.868 HG22 HD12 ' A' ' 8' ' ' LEU . 15.5 t -145.07 148.86 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.091 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -108.55 115.11 29.48 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.924 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.438 HG22 ' O ' ' A' ' 63' ' ' ILE . 28.6 mt -82.79 56.43 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.3 m -164.79 -44.69 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.541 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -90.1 -30.29 17.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.941 179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.474 ' N ' ' CD ' ' A' ' 67' ' ' PRO . 5.9 t -82.38 -46.6 0.95 Allowed Pre-proline 0 C--N 1.331 -0.197 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.515 -179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.474 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.0 Cg_exo -49.44 137.89 31.46 Favored 'Trans proline' 0 C--N 1.348 0.53 0 C-N-CA 122.434 2.089 . . . . 0.0 112.423 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -89.93 56.0 3.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.892 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 60.83 92.12 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.403 ' CB ' ' CB ' ' A' ' 74' ' ' GLU . 45.6 m-80 -157.18 42.55 0.34 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.927 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.99 65.84 0.25 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.908 179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 2.9 mtm -169.75 -71.01 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.505 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 68.1 m-85 -86.07 -40.61 15.56 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.276 179.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.403 ' CB ' ' CB ' ' A' ' 70' ' ' ASN . 2.0 tp10 -72.9 -68.17 0.51 Allowed 'General case' 0 N--CA 1.446 -0.663 0 CA-C-N 116.038 -0.528 . . . . 0.0 111.062 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.1 tt -75.5 129.45 37.29 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.663 -0.699 . . . . 0.0 110.96 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -177.46 -59.7 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -61.02 153.0 68.69 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.928 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_endo -69.36 -46.39 1.41 Allowed 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.534 2.156 . . . . 0.0 112.294 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 5.3 t -176.86 162.96 2.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.921 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 9.3 t -177.52 153.76 0.93 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.75 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.716 HG21 ' CD1' ' A' ' 94' ' ' LEU . 21.4 t -111.45 159.51 11.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.2 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.49 ' N ' HG12 ' A' ' 81' ' ' VAL . 15.3 mtt -142.33 163.62 32.35 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.845 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.684 ' CZ ' HG22 ' A' ' 27' ' ' VAL . 8.5 m-85 -125.68 143.18 51.15 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.897 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.833 ' O ' HG12 ' A' ' 26' ' ' VAL . 17.7 m-85 -137.23 122.99 19.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.737 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.834 ' HB3' HG23 ' A' ' 25' ' ' VAL . 6.4 p90 -119.09 121.67 40.34 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.963 -179.759 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 52.2 37.54 22.16 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.105 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.542 ' ND2' HD12 ' A' ' 19' ' ' LEU . 5.3 t30 62.27 30.23 17.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.91 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.427 ' HB3' ' CE2' ' A' ' 85' ' ' PHE . 9.9 tptt -93.54 -27.29 16.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.974 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.499 ' CG ' ' CE2' ' A' ' 84' ' ' PHE . 13.3 t-160 63.45 108.1 0.03 OUTLIER 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.994 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 5.9 tt -121.85 131.06 73.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.974 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 40.8 mmm -77.57 109.57 11.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.023 -179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 92' ' ' ILE . 0.8 OUTLIER -178.74 109.33 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.92 179.902 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -59.96 -171.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.924 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.716 ' CD1' HG21 ' A' ' 81' ' ' VAL . 25.3 mt -59.72 -20.72 58.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.089 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -130.34 -163.75 11.13 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.428 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 17.3 p -59.91 125.7 24.68 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -62.76 -76.27 0.27 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.527 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 14.1 m-20 64.17 -78.87 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.744 0.307 . . . . 0.0 110.925 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -157.55 -54.32 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.325 -0.398 . . . . 0.0 110.914 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 2.0 t-20 -83.48 80.05 9.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.921 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 6.8 mtmt -49.89 154.66 1.03 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.21 -179.794 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.573 HG22 ' CE ' ' A' ' 41' ' ' MET . 42.8 mm -63.4 82.06 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.165 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.612 ' O ' HG21 ' A' ' 37' ' ' THR . 2.6 p-10 -99.65 -26.6 14.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.834 179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.467 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 1.0 OUTLIER -98.81 -19.21 17.54 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.897 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.504 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 70.64 126.89 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.154 0 CA-C-O 120.892 0.377 . . . . 0.0 111.259 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -179.26 -177.55 0.46 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.708 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.423 ' CB ' ' HB2' ' A' ' 111' ' ' GLU . 0.5 OUTLIER 73.27 6.42 5.18 Favored 'General case' 0 CA--C 1.531 0.244 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.598 179.919 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 50.72 -166.07 0.04 OUTLIER 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.853 0.358 . . . . 0.0 111.536 179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.891 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.4 OUTLIER -66.44 -37.02 84.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.071 -0.513 . . . . 0.0 111.306 -179.74 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 18.5 mt-30 -39.76 -51.26 2.37 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.849 -179.572 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.423 ' HB2' ' CB ' ' A' ' 107' ' ' GLU . 0.7 OUTLIER -57.34 -60.65 3.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.292 -0.413 . . . . 0.0 111.212 -179.928 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.75 ' SD ' HG21 ' A' ' 48' ' ' ILE . 19.0 ptp -57.75 -39.62 77.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.29 -179.703 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.891 HG23 ' O ' ' A' ' 109' ' ' LYS . 89.6 t -49.1 -42.93 15.19 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.21 0 CA-C-O 120.774 0.321 . . . . 0.0 111.052 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -73.84 -29.87 62.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.859 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.874 ' O ' HG23 ' A' ' 119' ' ' VAL . 5.1 mm -72.32 -60.07 2.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 121.082 0.467 . . . . 0.0 110.586 179.721 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . . . . . . . . . 4.3 mt -51.94 -30.48 12.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.69 -0.687 . . . . 0.0 111.087 -179.369 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.46 -50.46 59.07 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.762 179.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 56.9 m -72.3 -30.88 65.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.991 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.874 HG23 ' O ' ' A' ' 115' ' ' ILE . 46.5 t -68.05 -45.29 83.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.172 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -64.84 -35.9 82.59 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.798 0.332 . . . . 0.0 110.889 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -63.8 -36.21 83.16 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.191 -179.617 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -95.02 -49.14 2.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.59 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.818 ' HB1' ' CD2' ' A' ' 85' ' ' PHE . . . -84.31 56.95 4.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.884 0.373 . . . . 0.0 111.011 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.7 mtt180 -80.47 -170.53 2.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.844 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.7 tttp -73.07 -66.95 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.927 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -104.65 -124.09 5.35 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.555 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER 60.47 89.4 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.836 0.35 . . . . 0.0 110.848 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.008 0 CA-C-O 118.429 -1.206 . . . . 0.02 112.449 -179.981 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m . . . . . 0 N--CA 1.487 1.4 0 CA-C-O 120.867 0.365 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.8 m-85 -129.31 123.88 32.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.42 ' CE ' HD12 ' A' ' 5' ' ' LEU . 2.1 ptm -105.4 -29.0 10.52 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.966 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.563 HD21 ' HA ' ' A' ' 42' ' ' ASP . 3.7 mp -49.8 106.36 0.62 Allowed Pre-proline 0 C--N 1.332 -0.163 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.228 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 90.0 Cg_endo -80.32 127.44 6.66 Favored 'Trans proline' 0 C--N 1.345 0.383 0 C-N-CA 122.623 2.215 . . . . 0.0 112.665 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.401 ' CD2' ' CD2' ' A' ' 9' ' ' HIS . 3.5 p-80 -110.11 -174.06 2.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.762 179.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.92 HD11 HG22 ' A' ' 61' ' ' VAL . 0.1 OUTLIER -135.83 128.36 30.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.914 179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.645 ' HA ' HG22 ' A' ' 66' ' ' VAL . 20.4 m170 -110.22 -29.85 7.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.9 ' O ' HG23 ' A' ' 14' ' ' VAL . 20.9 t30 -133.75 174.15 10.75 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.321 -0.4 . . . . 0.0 110.906 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -57.51 -27.83 58.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.533 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . 0.437 ' CZ3' ' NE2' ' A' ' 16' ' ' GLN . 0.0 OUTLIER -61.46 -46.67 89.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 10.8 mm-40 -76.66 -31.94 57.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.978 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.9 HG23 ' O ' ' A' ' 10' ' ' ASN . 22.1 t -62.71 -60.35 2.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.097 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -58.6 -35.14 71.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.959 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . 0.437 ' NE2' ' CZ3' ' A' ' 12' ' ' TRP . 5.2 mt-30 -73.31 -31.08 63.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.877 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.527 ' HB1' ' CG ' ' A' ' 59' ' ' TYR . . . -61.97 -42.44 99.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.058 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 17.7 mt -82.49 -48.36 18.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.039 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.2 mt -58.82 -21.02 55.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.22 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 93.6 p -52.2 -72.3 0.05 Allowed 'General case' 0 C--N 1.332 -0.192 0 CA-C-O 120.825 0.345 . . . . 0.0 111.154 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . 0.655 ' HB2' HG12 ' A' ' 57' ' ' VAL . 57.1 mm-40 -109.12 76.81 1.02 Allowed 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.967 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -98.57 31.64 2.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.682 179.776 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -111.46 -34.85 5.98 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.12 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.434 ' HB2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -117.25 -82.57 0.63 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.296 -0.411 . . . . 0.0 111.274 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.887 HG11 HG12 ' A' ' 119' ' ' VAL . 3.4 p -152.55 169.43 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 121.303 0.573 . . . . 0.0 111.431 -179.647 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 57' ' ' VAL . 4.2 t -149.14 143.02 18.42 Favored 'Isoleucine or valine' 0 N--CA 1.442 -0.855 0 CA-C-N 115.488 -0.778 . . . . 0.0 111.082 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.698 ' O ' HD13 ' A' ' 28' ' ' ILE . 48.2 t -111.92 141.94 25.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.13 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.698 HD13 ' O ' ' A' ' 27' ' ' VAL . 22.7 mm -143.52 122.43 7.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.157 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.464 ' NE ' HD12 ' A' ' 60' ' ' LEU . 0.0 OUTLIER -121.02 121.29 37.63 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.857 179.931 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.432 ' HB2' HG23 ' A' ' 63' ' ' ILE . 15.0 p90 -103.97 136.27 43.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.981 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 178.4 -109.08 0.26 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.534 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -138.98 142.9 38.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.841 0.353 . . . . 0.0 110.895 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 -64.71 -42.08 95.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.939 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 52.2 p-90 -99.9 34.61 2.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.961 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -90.07 148.24 38.99 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 42.7 Cg_endo -67.82 -45.32 3.3 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.501 2.134 . . . . 0.0 112.213 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.589 HG21 ' O ' ' A' ' 103' ' ' ASN . 67.0 m -54.71 -29.53 53.53 Favored 'General case' 0 N--CA 1.453 -0.313 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 42.3 t -79.49 -31.76 42.36 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.983 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 13.2 mmm -63.16 -35.11 79.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.696 ' O ' HG23 ' A' ' 44' ' ' VAL . 27.2 mtmt -83.66 -35.0 24.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.288 -0.415 . . . . 0.0 111.006 -179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.458 ' SD ' HG22 ' A' ' 37' ' ' THR . 32.5 mtp -73.39 -37.8 65.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' HA ' HD21 ' A' ' 5' ' ' LEU . 6.5 m-20 -75.68 -46.43 31.31 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.137 -179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -56.57 -33.21 65.94 Favored 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.937 0.399 . . . . 0.0 110.817 -179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.799 HG12 HG12 ' A' ' 48' ' ' ILE . 32.0 t -88.21 -35.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.827 179.617 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.529 HD22 HD13 ' A' ' 58' ' ' ILE . 6.1 mt -47.54 -40.03 17.83 Favored 'General case' 0 C--N 1.332 -0.173 0 CA-C-N 115.963 -0.562 . . . . 0.0 111.171 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -63.24 -37.83 88.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.017 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 94.5 p -90.09 6.93 40.3 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.033 -0.53 . . . . 0.0 111.551 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.799 HG12 HG12 ' A' ' 44' ' ' VAL . 1.4 pp -148.62 36.77 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-O 120.846 0.355 . . . . 0.0 111.299 -179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -123.56 -61.68 1.37 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.199 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -47.68 -28.12 2.26 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.533 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 4.7 mtmp? -54.44 -27.27 36.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.399 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.471 HG11 HG22 ' A' ' 116' ' ' ILE . 5.8 m -119.25 18.78 6.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.425 -0.352 . . . . 0.0 111.574 -179.872 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 4.6 ttmt -53.81 166.54 0.33 Allowed 'General case' 0 N--CA 1.454 -0.241 0 CA-C-O 120.922 0.391 . . . . 0.0 111.217 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.7 t-20 62.67 17.02 9.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.349 179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.434 ' CD1' ' HB2' ' A' ' 24' ' ' ARG . 5.9 m-85 -159.05 -60.91 0.07 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.072 0.463 . . . . 0.0 110.971 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.517 ' CB ' HG13 ' A' ' 25' ' ' VAL . . . -103.72 135.64 44.89 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.78 -0.646 . . . . 0.0 110.647 179.85 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.777 HG13 HG13 ' A' ' 26' ' ' VAL . 7.2 p -139.72 137.87 39.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.967 0.413 . . . . 0.0 111.458 -179.517 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.604 HG23 ' HB ' ' A' ' 27' ' ' VAL . 2.3 mp -99.98 165.4 2.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.799 179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.527 ' CG ' ' HB1' ' A' ' 17' ' ' ALA . 40.5 m-85 -160.0 134.86 7.83 Favored 'General case' 0 N--CA 1.444 -0.733 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.876 179.665 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.652 HD22 ' N ' ' A' ' 60' ' ' LEU . 1.9 mm? -93.14 132.8 36.96 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.012 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.92 HG22 HD11 ' A' ' 8' ' ' LEU . 14.7 t -120.14 127.82 75.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.044 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -99.19 107.89 20.34 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.025 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.432 HG23 ' HB2' ' A' ' 30' ' ' PHE . 5.7 pt -81.39 56.12 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.365 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.17 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.1 m -164.91 -44.31 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.646 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 35.5 tt0 -89.58 -31.48 17.57 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.809 179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' A' ' 9' ' ' HIS . 32.2 t -76.18 136.3 69.19 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.043 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.406 ' HD2' HG13 ' A' ' 66' ' ' VAL . 72.9 Cg_endo -76.19 58.83 5.77 Favored 'Trans proline' 0 C--N 1.346 0.398 0 C-N-CA 122.472 2.115 . . . . 0.0 112.37 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 72.2 m-20 -90.03 170.56 10.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.942 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.6 t80 -109.96 -33.35 6.73 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.7 m120 59.61 29.99 19.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.927 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 3.9 mmmt 62.39 -80.19 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.981 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 19.1 mmt -130.39 -45.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.398 -0.365 . . . . 0.0 110.86 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 11.0 p90 -165.23 35.52 0.06 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.938 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.402 ' O ' ' CE2' ' A' ' 76' ' ' TYR . 6.5 tt0 -47.96 -33.34 7.62 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.293 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.409 ' O ' HD12 ' A' ' 75' ' ' LEU . 3.9 pp -81.2 136.56 35.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.96 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.402 ' CE2' ' O ' ' A' ' 74' ' ' GLU . 39.7 p90 -176.7 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.922 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -81.12 147.57 61.49 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.913 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 50.9 Cg_exo -53.24 -52.42 8.76 Favored 'Trans proline' 0 C--N 1.345 0.364 0 C-N-CA 122.603 2.202 . . . . 0.0 112.265 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -158.42 147.15 18.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.82 -179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.408 ' OG1' ' CE2' ' A' ' 30' ' ' PHE . 3.5 p -156.8 169.93 23.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.801 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 82' ' ' MET . 55.3 t -126.84 155.68 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.739 179.381 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.428 ' N ' HG12 ' A' ' 81' ' ' VAL . 32.0 mtt -148.56 163.55 36.89 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 121.033 0.444 . . . . 0.0 111.409 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.98 ' CD2' HD12 ' A' ' 92' ' ' ILE . 0.0 OUTLIER -95.18 150.91 19.7 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.788 179.871 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.489 ' CZ ' ' CE1' ' A' ' 89' ' ' HIS . 5.5 m-85 -140.44 84.92 1.98 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.601 179.733 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.842 ' HB3' HD11 ' A' ' 90' ' ' ILE . 14.0 t80 -116.16 145.34 43.15 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.392 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . 0.447 ' HB2' ' CE1' ' A' ' 85' ' ' PHE . 0.1 OUTLIER 44.43 30.15 0.46 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.933 -179.692 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 16.4 m-80 62.99 50.19 3.23 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.841 -179.684 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.8 tptp -153.09 131.71 12.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.787 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.489 ' CE1' ' CZ ' ' A' ' 84' ' ' PHE . 17.7 m80 -66.6 137.05 56.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.982 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.842 HD11 ' HB3' ' A' ' 85' ' ' PHE . 2.0 mt -131.4 147.44 32.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.95 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 13.8 mtt -71.2 80.14 0.71 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.145 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.98 HD12 ' CD2' ' A' ' 83' ' ' PHE . 20.4 mt -152.81 155.96 6.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.962 179.874 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.442 ' N ' HG22 ' A' ' 92' ' ' ILE . 0.9 OUTLIER -141.68 -178.12 5.5 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.037 -179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.516 HD13 ' HE3' ' A' ' 112' ' ' MET . 19.2 mt -59.98 -28.32 67.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.963 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.468 ' HA3' HD11 ' A' ' 102' ' ' ILE . . . -114.06 172.71 14.48 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.493 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.479 ' HA ' HD11 ' A' ' 115' ' ' ILE . 9.9 t -72.54 125.67 28.01 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.815 0.341 . . . . 0.0 110.887 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.17 157.78 8.97 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.528 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -74.78 -68.12 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.86 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -71.44 -169.43 0.41 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.841 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 21.5 p30 -79.47 61.6 3.55 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.858 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 5.2 mtpm? -49.97 -30.03 9.66 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.363 -179.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.468 HD11 ' HA3' ' A' ' 95' ' ' GLY . 28.3 mm -83.18 74.68 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.198 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.589 ' O ' HG21 ' A' ' 37' ' ' THR . 7.7 m-20 -110.22 -37.27 5.59 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.916 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.433 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 5.7 m95 -105.2 -11.53 16.5 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.375 -179.895 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.467 ' HB3' ' HE3' ' A' ' 40' ' ' LYS . . . 68.9 105.77 0.05 Allowed 'General case' 0 C--N 1.331 -0.221 0 CA-C-O 120.859 0.362 . . . . 0.0 111.087 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 10.5 mtm -154.54 144.72 21.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.704 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 70.91 9.05 6.72 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.331 -0.395 . . . . 0.0 111.332 -179.873 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.475 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.0 OUTLIER -51.89 158.46 1.03 Allowed 'General case' 0 C--N 1.331 -0.239 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.124 -179.772 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.724 ' O ' HG23 ' A' ' 113' ' ' VAL . 24.3 ttmt 87.53 -42.86 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.775 -179.619 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 3.3 mt-30 -90.04 -66.53 0.92 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.723 179.711 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 7.4 tt0 -57.49 -33.41 67.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.744 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.738 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -60.63 -50.2 74.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.673 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 109' ' ' LYS . 64.7 t -55.89 -37.76 49.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.856 179.776 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.3 t0 -69.52 -37.34 77.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.661 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.735 ' O ' HG23 ' A' ' 119' ' ' VAL . 3.9 mm -70.26 -58.51 5.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.376 179.598 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.738 HD12 ' O ' ' A' ' 112' ' ' MET . 3.5 mt -53.28 -34.58 22.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.683 -0.689 . . . . 0.0 110.895 -179.61 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -62.08 -42.18 98.94 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.066 -0.516 . . . . 0.0 110.24 179.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 4.3 m -76.5 -28.93 56.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.524 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.887 HG12 HG11 ' A' ' 25' ' ' VAL . 59.8 t -66.04 -49.42 76.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.906 179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.45 ' CD2' HG12 ' A' ' 52' ' ' VAL . 8.8 t80 -65.68 -34.43 78.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.069 -179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 2.3 ttt85 -80.77 -34.71 34.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.914 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -81.17 -41.16 10.5 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.806 -0.712 . . . . 0.0 112.349 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -86.13 55.87 3.73 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.878 0.37 . . . . 0.0 111.031 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 12.6 ptp180 -88.48 169.68 11.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.913 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 2.6 tptt -157.77 126.06 5.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 148.74 -30.54 1.25 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.533 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 18.1 mmt85 60.7 178.34 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.822 0.344 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.056 0 CA-C-O 118.36 -1.245 . . . . 0.02 112.507 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.9 p . . . . . 0 N--CA 1.486 1.356 0 CA-C-O 120.794 0.33 . . . . 0.0 111.168 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 -85.78 141.2 29.84 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.466 ' HE3' ' CE2' ' A' ' 46' ' ' TYR . 16.4 ptp -106.84 -38.54 6.05 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.763 HD13 ' OD1' ' A' ' 42' ' ' ASP . 1.6 mt -49.83 106.23 0.61 Allowed Pre-proline 0 CA--C 1.531 0.226 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.192 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.423 ' HG2' ' CD1' ' A' ' 59' ' ' TYR . 72.5 Cg_endo -76.49 143.09 24.17 Favored 'Trans proline' 0 C--N 1.346 0.42 0 C-N-CA 122.478 2.119 . . . . 0.0 112.316 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.411 ' CD2' ' HB2' ' A' ' 60' ' ' LEU . 12.6 m80 -110.1 160.2 16.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.284 -0.417 . . . . 0.0 111.046 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 14' ' ' VAL . 5.9 mt -107.4 -176.25 3.02 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.792 179.859 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 85.4 m-70 -121.96 -78.02 0.59 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.011 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.839 ' O ' HG23 ' A' ' 14' ' ' VAL . 47.0 p-10 -128.38 -175.24 3.45 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.926 -179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -55.81 -27.47 50.1 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.597 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 5.6 m95 -62.76 -50.9 69.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.77 0.319 . . . . 0.0 110.774 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.471 ' HB3' HD23 ' A' ' 8' ' ' LEU . 8.5 mm-40 -75.38 -37.54 60.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.839 HG23 ' O ' ' A' ' 10' ' ' ASN . 25.1 t -64.84 -46.73 91.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.961 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -60.37 -43.46 96.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -31.75 71.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.765 179.911 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -67.88 -33.59 75.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.082 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.682 HD12 ' CG ' ' A' ' 84' ' ' PHE . 37.6 mm -63.91 -59.57 4.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.996 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.2 mp -65.37 -29.19 69.88 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 65.6 m -86.79 55.45 3.57 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.889 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -60.04 167.66 2.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.856 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -96.4 33.85 1.72 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.763 179.838 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 73.44 5.65 5.01 Favored 'General case' 0 C--N 1.332 -0.187 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.538 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.401 ' NH1' ' HB2' ' A' ' 120' ' ' TYR . 0.0 OUTLIER -140.68 -71.25 0.37 Allowed 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.853 0.359 . . . . 0.0 111.459 -179.933 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.8 HG11 HG12 ' A' ' 119' ' ' VAL . 0.2 OUTLIER -147.07 -173.01 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.08 0.467 . . . . 0.0 111.661 -179.497 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 57' ' ' VAL . 4.1 t -151.51 145.64 16.14 Favored 'Isoleucine or valine' 0 N--CA 1.443 -0.822 0 CA-C-N 115.815 -0.629 . . . . 0.0 110.897 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.716 ' HB ' HG23 ' A' ' 58' ' ' ILE . 30.4 t -132.17 139.2 50.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.924 0.392 . . . . 0.0 111.327 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.588 HD13 ' O ' ' A' ' 27' ' ' VAL . 26.4 mm -134.66 132.49 54.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.066 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.861 ' CG ' HG22 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -115.09 101.85 9.37 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.892 -179.917 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.51 ' O ' HD11 ' A' ' 63' ' ' ILE . 72.4 m-85 -78.52 110.96 14.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.875 179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 156.45 157.6 8.41 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.45 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -60.58 158.63 12.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.764 0.316 . . . . 0.0 110.821 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -63.38 -30.87 71.93 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.898 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -97.68 38.09 1.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -81.06 148.73 64.84 Favored Pre-proline 0 C--N 1.33 -0.262 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 19.4 Cg_endo -59.22 -74.56 0.02 OUTLIER 'Trans proline' 0 C--N 1.345 0.393 0 C-N-CA 122.587 2.192 . . . . 0.0 112.361 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.417 HG23 ' N ' ' A' ' 105' ' ' ALA . 41.4 m -56.77 -36.49 69.87 Favored 'General case' 0 N--CA 1.452 -0.368 0 CA-C-O 120.995 0.426 . . . . 0.0 110.908 -179.878 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.0 t -58.89 -27.64 65.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.887 -0.597 . . . . 0.0 110.796 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 11.8 ttt -69.9 -54.24 14.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.969 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.853 ' O ' HG23 ' A' ' 44' ' ' VAL . 1.6 tttm -59.35 -38.63 80.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.812 -179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.744 ' SD ' HD22 ' A' ' 94' ' ' LEU . 1.5 tpt -73.77 -55.1 6.66 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.422 179.704 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.763 ' OD1' HD13 ' A' ' 5' ' ' LEU . 32.2 t70 -58.18 -42.54 86.27 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.976 -0.556 . . . . 0.0 111.463 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.458 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 15.6 pt-20 -60.13 -38.79 84.11 Favored 'General case' 0 C--N 1.332 -0.175 0 CA-C-O 120.777 0.322 . . . . 0.0 110.854 -179.669 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.906 ' O ' HG22 ' A' ' 48' ' ' ILE . 24.4 t -78.82 -36.91 19.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.724 179.443 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.742 HD11 ' CZ ' ' A' ' 29' ' ' ARG . 14.6 mt -47.95 -48.2 32.22 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.05 -0.523 . . . . 0.0 111.124 179.739 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.466 ' CE2' ' HE3' ' A' ' 4' ' ' MET . 12.9 t80 -52.97 -41.09 64.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.974 0.416 . . . . 0.0 111.021 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 4.0 m -90.21 6.65 41.85 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 115.941 -0.572 . . . . 0.0 111.423 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.926 HD11 HG22 ' A' ' 113' ' ' VAL . 2.8 tp -161.18 57.12 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-O 120.998 0.428 . . . . 0.0 111.225 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.403 ' HA ' HG22 ' A' ' 52' ' ' VAL . . . -159.26 -46.44 0.05 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.136 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.99 -27.56 3.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.463 -179.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.58 -31.27 52.95 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.251 -179.706 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.403 HG22 ' HA ' ' A' ' 49' ' ' ALA . 8.2 m -97.22 -18.9 6.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.364 -0.38 . . . . 0.0 111.577 -179.842 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.81 -28.2 1.47 Allowed 'General case' 0 C--N 1.332 -0.185 0 CA-C-O 120.789 0.328 . . . . 0.0 111.571 -179.74 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 6.0 m120 -67.16 -35.52 79.85 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.351 -0.386 . . . . 0.0 111.294 -179.706 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -97.18 -36.87 10.31 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.95 0.405 . . . . 0.0 111.176 -179.678 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -116.96 158.94 23.24 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.752 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.989 HG13 HG13 ' A' ' 26' ' ' VAL . 7.4 p -126.49 117.27 47.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 116.326 -0.397 . . . . 0.0 111.091 -179.85 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.716 HG23 ' HB ' ' A' ' 27' ' ' VAL . 6.4 mt -102.79 163.1 3.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.046 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.695 ' C ' HD22 ' A' ' 60' ' ' LEU . 47.5 m-85 -160.13 164.6 32.84 Favored 'General case' 0 N--CA 1.445 -0.678 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.134 179.402 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.695 HD22 ' C ' ' A' ' 59' ' ' TYR . 3.0 mm? -121.14 93.15 3.93 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.805 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.45 HG23 HG23 ' A' ' 28' ' ' ILE . 21.6 t -77.69 155.44 5.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.197 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.416 ' N ' HG12 ' A' ' 61' ' ' VAL . 18.4 m-20 -106.41 129.76 54.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 30' ' ' PHE . 33.9 mt -86.47 -25.73 6.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.209 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.4 m -86.91 -39.94 15.31 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.758 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.8 tt0 -71.5 -40.38 70.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.806 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.473 HG22 ' HA ' ' A' ' 10' ' ' ASN . 23.7 t -89.97 136.01 29.55 Favored Pre-proline 0 C--N 1.33 -0.26 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.112 179.865 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.402 ' HD2' HG13 ' A' ' 66' ' ' VAL . 55.9 Cg_endo -70.17 110.25 2.59 Favored 'Trans proline' 0 C--N 1.346 0.447 0 C-N-CA 122.407 2.071 . . . . 0.0 112.265 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -89.7 -174.06 4.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.922 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . 0.421 ' CD1' ' HE2' ' A' ' 71' ' ' LYS . 0.4 OUTLIER -60.68 -34.3 74.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 -179.945 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 2.0 m120 64.43 -78.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . 0.421 ' HE2' ' CD1' ' A' ' 69' ' ' PHE . 8.3 mttm 64.06 -79.34 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 3.8 mtt -120.04 -67.53 0.97 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 22.8 t80 -149.46 29.08 0.78 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.96 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -49.04 -32.4 9.38 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.263 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.712 ' O ' HD12 ' A' ' 75' ' ' LEU . 1.3 pp -70.76 65.41 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' CG ' ' O ' ' A' ' 76' ' ' TYR . 69.3 t80 -164.44 30.85 0.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -90.06 147.9 38.23 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 58.6 Cg_endo -71.6 -44.3 1.08 Allowed 'Trans proline' 0 C--N 1.343 0.276 0 C-N-CA 122.551 2.167 . . . . 0.0 112.302 179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 4.5 t -177.06 163.87 2.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.859 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 66.6 m -157.37 125.13 5.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.815 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.95 HG21 HD11 ' A' ' 94' ' ' LEU . 60.5 t -130.51 135.54 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.247 0 CA-C-N 116.345 -0.388 . . . . 0.0 111.075 -179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 3.7 ptp -152.29 171.73 17.53 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.874 0.369 . . . . 0.0 111.129 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 92' ' ' ILE . 9.1 m-85 -112.21 176.89 4.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.808 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.682 ' CG ' HD12 ' A' ' 18' ' ' ILE . 16.2 m-85 -150.87 132.33 14.69 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.946 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.408 ' CZ ' ' O ' ' A' ' 123' ' ' ALA . 30.3 t80 -147.94 148.34 30.68 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.819 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 52.4 30.19 7.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.074 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 49.7 t30 60.6 30.87 20.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.837 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.08 -169.52 1.85 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.819 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -102.61 115.45 30.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.981 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 23.2 mm -106.99 133.77 50.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.04 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 7.3 mtt -101.62 141.52 34.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.886 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 83' ' ' PHE . 3.1 pt -143.03 -173.72 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.013 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.78 ' OD2' HG23 ' A' ' 96' ' ' THR . 3.2 t0 -143.81 116.64 8.77 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.834 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.95 HD11 HG21 ' A' ' 81' ' ' VAL . 19.2 mt -69.22 -53.88 17.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.775 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -115.17 -29.99 2.4 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.586 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.78 HG23 ' OD2' ' A' ' 93' ' ' ASP . 1.3 m 63.51 124.46 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.846 0.355 . . . . 0.0 110.901 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -146.93 -47.05 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.385 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.502 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 78.8 m-20 -118.34 -71.32 0.74 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.864 0.364 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -118.62 -69.33 0.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.796 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 34.1 p-10 -160.42 28.93 0.16 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.921 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 1.2 tttm -50.88 93.32 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.292 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.484 HD13 ' O ' ' A' ' 81' ' ' VAL . 1.4 pt -90.4 40.64 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.452 -0.339 0 CA-C-O 121.227 0.537 . . . . 0.0 111.386 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 -110.2 -31.0 7.48 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.514 -0.766 . . . . 0.0 110.803 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 2.8 t-105 -108.2 171.78 7.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.828 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.417 ' N ' HG23 ' A' ' 37' ' ' THR . . . -170.31 141.77 2.08 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.278 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 15.4 ttm -177.14 48.17 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.925 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -130.82 8.2 4.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.345 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.659 ' HA ' HG21 ' A' ' 44' ' ' VAL . 7.5 m-20 47.57 -158.35 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.282 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.763 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.6 OUTLIER -54.49 -23.12 14.97 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.539 -0.301 . . . . 0.0 111.239 -179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.58 -57.0 7.95 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.77 0.319 . . . . 0.0 111.024 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 3.1 mm-40 -69.74 -39.77 76.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.756 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.857 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.7 OUTLIER -60.12 -62.26 2.0 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.924 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.926 HG22 HD11 ' A' ' 48' ' ' ILE . 41.9 t -48.17 -36.1 5.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.961 -0.563 . . . . 0.0 111.372 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 t0 -76.38 -47.06 24.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.005 -0.543 . . . . 0.0 111.574 -179.587 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.587 HD13 ' O ' ' A' ' 115' ' ' ILE . 0.3 OUTLIER -65.32 -47.59 86.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.881 0.372 . . . . 0.0 111.299 -179.561 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.857 HD12 ' O ' ' A' ' 112' ' ' MET . 3.6 mt -61.31 -32.77 54.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.02 -0.536 . . . . 0.0 110.924 -179.26 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . 0.443 ' HA ' ' CD1' ' A' ' 120' ' ' TYR . 23.9 tt0 -66.68 -31.84 72.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.919 179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 1.1 m -82.06 -24.37 35.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.091 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.8 HG12 HG11 ' A' ' 25' ' ' VAL . 38.4 t -89.27 -41.94 14.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.452 -179.836 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -69.42 -34.33 74.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.493 -0.322 . . . . 0.0 110.999 -179.722 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.453 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 14.6 ttt-85 -73.93 -31.43 63.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.108 -179.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -93.25 -39.98 4.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.614 -0.803 . . . . 0.0 112.57 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.408 ' O ' ' CZ ' ' A' ' 85' ' ' PHE . . . -71.8 -9.17 57.91 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.742 0.275 . . . . 0.0 111.742 -179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.6 ptm180 -90.75 48.74 1.57 Allowed 'General case' 0 C--N 1.331 -0.197 0 CA-C-O 120.749 0.309 . . . . 0.0 110.978 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 1.2 ptmm? 46.25 -169.19 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.293 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . -178.0 106.95 0.22 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.511 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 4.3 ttp180 -154.77 -64.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.824 0.345 . . . . 0.0 110.896 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.079 0 CA-C-O 118.378 -1.235 . . . . 0.02 112.466 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 N--CA 1.486 1.346 0 CA-C-O 120.809 0.338 . . . . 0.0 111.184 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 5.5 p90 -110.11 178.57 4.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.902 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 2.8 mmm -147.99 -176.52 5.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.813 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.743 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.3 pp -49.92 106.4 0.63 Allowed Pre-proline 0 C--N 1.33 -0.242 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.211 -179.796 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 60.8 Cg_endo -72.77 122.63 8.35 Favored 'Trans proline' 0 C--N 1.347 0.481 0 C-N-CA 122.439 2.093 . . . . 0.0 112.431 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.4 p80 -109.93 166.62 10.79 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.631 ' HG ' HG22 ' A' ' 14' ' ' VAL . 3.6 mm? -80.22 -79.18 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.834 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.537 ' HA ' HG22 ' A' ' 66' ' ' VAL . 1.5 t60 59.39 24.06 12.63 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.952 -0.567 . . . . 0.0 111.162 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.517 ' O ' HG23 ' A' ' 14' ' ' VAL . 12.5 t30 -179.52 137.21 0.13 Allowed 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.402 -0.363 . . . . 0.0 110.909 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -62.82 -34.58 90.17 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.386 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 42.6 t-105 -59.63 -32.17 70.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.901 0.381 . . . . 0.0 110.751 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.439 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 4.8 mm100 -79.34 -30.93 42.91 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.07 -0.514 . . . . 0.0 110.793 179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.631 HG22 ' HG ' ' A' ' 8' ' ' LEU . 33.0 t -69.07 -55.06 16.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.128 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . . . . . . . . . 22.9 m-20 -67.86 -31.05 70.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -79.12 -29.58 43.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.949 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.439 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -68.7 -34.41 75.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.214 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.612 HD12 ' CD2' ' A' ' 84' ' ' PHE . 52.1 mm -75.92 -32.56 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.21 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 18.0 mt -90.12 -28.6 18.86 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.36 -0.382 . . . . 0.0 111.173 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 50.3 p -61.32 -40.82 95.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.178 -179.687 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.9 -85.03 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.46 -0.336 . . . . 0.0 111.475 -179.634 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 12.0 mm-40 49.47 28.18 2.33 Favored 'General case' 0 C--N 1.333 -0.126 0 CA-C-O 120.791 0.329 . . . . 0.0 111.026 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -116.77 -67.91 0.96 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.055 -179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.418 ' HD2' ' CD1' ' A' ' 55' ' ' PHE . 0.0 OUTLIER -137.48 -74.6 0.41 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.219 -179.869 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.414 ' O ' HG12 ' A' ' 26' ' ' VAL . 0.0 OUTLIER -151.22 178.48 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.988 -179.864 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.779 ' HB ' HG23 ' A' ' 57' ' ' VAL . 0.8 OUTLIER -155.46 157.8 3.89 Favored 'Isoleucine or valine' 0 N--CA 1.444 -0.743 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.13 179.5 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.678 ' O ' HD13 ' A' ' 28' ' ' ILE . 0.0 OUTLIER -122.01 149.53 25.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.743 179.558 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.678 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -134.17 102.84 4.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.134 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.573 ' HD2' HD22 ' A' ' 60' ' ' LEU . 34.3 ttm180 -76.13 152.81 36.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.95 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.843 ' CE1' HD13 ' A' ' 63' ' ' ILE . 64.2 t80 -117.77 147.92 42.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.926 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 102.63 -174.2 23.46 Favored Glycine 0 N--CA 1.452 -0.239 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.555 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 5.8 t-80 -79.72 155.54 27.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.801 0.334 . . . . 0.0 110.968 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -62.9 -29.63 70.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.955 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 69.7 t-105 -96.64 39.15 1.17 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.973 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.6 m-20 -87.64 161.56 44.62 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.872 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 18.7 Cg_endo -58.72 -73.38 0.03 OUTLIER 'Trans proline' 0 C--N 1.344 0.335 0 C-N-CA 122.615 2.21 . . . . 0.0 112.237 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.678 HG23 ' H ' ' A' ' 105' ' ' ALA . 8.9 m -55.45 -31.1 61.66 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.873 -179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.484 ' HA ' ' HE3' ' A' ' 41' ' ' MET . 51.9 t -60.21 -43.54 95.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.841 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 2.4 ttm -61.4 -34.47 75.41 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.784 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -71.56 -56.25 6.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.745 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.706 ' SD ' HD21 ' A' ' 94' ' ' LEU . 57.2 mtm -60.26 -45.53 92.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.789 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -56.05 -41.0 74.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.956 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -59.55 -39.62 84.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.528 HG13 ' HG3' ' A' ' 109' ' ' LYS . 16.2 t -78.22 -42.01 26.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.507 . . . . 0.0 111.012 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.543 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 1.6 mm? -46.91 -49.07 21.03 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.387 -179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -55.48 -29.93 59.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.057 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.1 m -90.08 -28.47 18.98 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.125 -179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.816 HD12 HD11 ' A' ' 116' ' ' ILE . 10.0 pt -112.4 31.86 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.344 -0.389 . . . . 0.0 111.279 -179.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.543 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -104.87 -75.44 0.62 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.258 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -46.73 -28.6 1.56 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.537 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.483 ' HE3' HG22 ' A' ' 113' ' ' VAL . 0.0 OUTLIER -55.01 -36.2 65.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.367 -0.379 . . . . 0.0 111.201 -179.779 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . . . . . . . . . 9.5 m -143.39 23.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.374 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.69 -30.13 20.83 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.4 -0.364 . . . . 0.0 111.293 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 52.0 t30 -77.59 -28.03 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.1 -179.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.418 ' CD1' ' HD2' ' A' ' 24' ' ' ARG . 15.9 m-85 -86.78 -44.93 11.37 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.974 0.416 . . . . 0.0 110.889 -179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -120.36 164.38 16.42 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.889 -0.596 . . . . 0.0 111.084 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.779 HG23 ' HB ' ' A' ' 26' ' ' VAL . 15.6 m -147.58 132.34 10.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.69 179.856 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.636 ' CB ' HG23 ' A' ' 27' ' ' VAL . 18.1 tt -114.82 159.34 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.976 0.417 . . . . 0.0 111.743 -179.578 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.513 ' HB3' HD22 ' A' ' 8' ' ' LEU . 68.8 m-85 -159.73 133.63 7.34 Favored 'General case' 0 N--CA 1.446 -0.65 0 CA-C-N 115.646 -0.706 . . . . 0.0 110.773 179.547 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.573 HD22 ' HD2' ' A' ' 29' ' ' ARG . 4.8 mt -86.92 136.81 32.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.118 -179.764 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 22.0 t -111.31 115.66 50.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.036 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 56.8 t0 -82.94 101.11 10.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.945 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.843 HD13 ' CE1' ' A' ' 30' ' ' PHE . 1.2 tp -81.2 55.65 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.027 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 88.7 m -166.37 -43.3 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.426 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -86.9 -36.32 18.46 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 115.934 -0.576 . . . . 0.0 110.82 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.537 HG22 ' HA ' ' A' ' 9' ' ' HIS . 26.3 t -80.11 -48.12 1.33 Allowed Pre-proline 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.484 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.502 ' HD3' ' HB ' ' A' ' 66' ' ' VAL . 85.2 Cg_endo -81.6 129.35 6.43 Favored 'Trans proline' 0 C--N 1.348 0.516 0 C-N-CA 122.3 2.0 . . . . 0.0 112.436 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -76.99 155.61 32.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.871 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER 60.48 30.42 19.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.927 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.401 ' ND2' ' CG ' ' A' ' 74' ' ' GLU . 4.5 m-20 -113.51 -17.79 12.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.331 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 11.4 tttp -50.37 107.12 0.14 Allowed 'General case' 0 C--N 1.331 -0.205 0 CA-C-O 120.873 0.368 . . . . 0.0 111.246 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.2 ttt 59.2 61.98 1.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.996 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.06 -64.38 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.763 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.401 ' CG ' ' ND2' ' A' ' 70' ' ' ASN . 1.2 tp10 -53.56 -34.0 56.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.253 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 6.0 mt -56.83 134.91 55.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.97 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 7.0 t80 -160.99 -59.37 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.905 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -89.94 151.18 44.94 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.951 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -52.57 -61.36 0.5 Allowed 'Trans proline' 0 C--N 1.344 0.298 0 C-N-CA 122.539 2.159 . . . . 0.0 112.286 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 1.2 m -170.67 -173.78 1.46 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.402 HG22 ' HB3' ' A' ' 30' ' ' PHE . 10.5 t -177.08 148.23 0.61 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.751 HG11 HD23 ' A' ' 94' ' ' LEU . 34.5 t -119.58 145.42 25.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.979 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 6.4 ptt? -145.93 138.3 25.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.973 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.45 ' CE1' ' CG1' ' A' ' 27' ' ' VAL . 7.9 m-85 -95.72 139.56 31.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.612 ' CD2' HD12 ' A' ' 18' ' ' ILE . 2.9 m-85 -115.74 122.82 46.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.484 ' CE2' ' HB1' ' A' ' 123' ' ' ALA . 26.7 t80 -147.5 148.29 31.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.849 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 39.9 ttp180 54.11 29.64 10.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.085 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m120 60.99 31.52 19.93 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.927 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 8.5 mmtt -134.77 -176.77 4.34 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . . . . . . . . . 3.9 t-160 -94.96 134.87 37.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.934 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.742 HG22 HG12 ' A' ' 92' ' ' ILE . 28.6 mm -123.32 137.02 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.101 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . 0.787 ' O ' HD13 ' A' ' 92' ' ' ILE . 11.6 mtt -97.9 93.49 6.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.875 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.787 HD13 ' O ' ' A' ' 91' ' ' MET . 22.5 mm -139.88 152.26 22.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.025 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -119.58 138.71 53.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.916 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.751 HD23 HG11 ' A' ' 81' ' ' VAL . 4.4 pp -87.28 -44.08 11.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.841 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.696 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -103.95 -101.49 2.67 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.47 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.28 146.84 42.41 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.777 0.322 . . . . 0.0 110.913 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -85.55 -102.13 0.7 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.507 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 36.7 m-20 60.88 165.03 0.08 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.792 0.329 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 39.4 p30 -100.17 32.15 3.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -136.38 173.47 11.67 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.871 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 17.2 mmtt -49.91 154.99 0.96 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.261 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.543 HD13 ' HB ' ' A' ' 81' ' ' VAL . 3.3 mp -90.04 72.62 0.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.084 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -74.96 -34.96 62.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.793 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 4.1 t-105 -114.24 136.82 52.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.647 179.816 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.678 ' H ' HG23 ' A' ' 37' ' ' THR . . . -136.59 136.84 39.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 111.323 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 17.7 ttt -178.2 71.72 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.681 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . 0.409 ' HB3' ' CB ' ' A' ' 111' ' ' GLU . 6.0 mm-40 -130.98 8.07 4.75 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.55 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.5 ' O ' HG11 ' A' ' 44' ' ' VAL . 3.3 p-10 46.48 -152.39 0.07 Allowed 'General case' 0 CA--C 1.533 0.291 0 CA-C-N 116.555 -0.293 . . . . 0.0 111.154 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.528 ' HG3' HG13 ' A' ' 44' ' ' VAL . 0.0 OUTLIER -85.58 16.94 3.51 Favored 'General case' 0 CA--C 1.529 0.153 0 N-CA-C 111.666 0.247 . . . . 0.0 111.666 -179.852 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 -90.36 -71.58 0.61 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.803 0.335 . . . . 0.0 110.813 179.774 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 107' ' ' GLU . 1.5 tp10 -73.72 -37.86 64.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.798 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.634 ' O ' HD12 ' A' ' 116' ' ' ILE . 28.1 mtt -59.99 -46.84 88.15 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.643 179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.483 HG22 ' HE3' ' A' ' 51' ' ' LYS . 43.3 t -62.83 -40.73 89.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.77 179.704 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -66.55 -29.52 69.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.725 179.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.448 ' O ' HG23 ' A' ' 119' ' ' VAL . 6.1 mm -72.66 -59.7 3.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.658 179.781 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.816 HD11 HD12 ' A' ' 48' ' ' ILE . 3.4 mt -51.15 -30.61 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 CA-C-N 115.784 -0.644 . . . . 0.0 111.252 -179.372 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -77.27 -28.07 53.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.863 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -82.7 -26.97 31.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.799 179.794 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 115' ' ' ILE . 25.9 t -83.81 -46.68 18.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.235 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.449 ' CD1' ' N ' ' A' ' 121' ' ' ARG . 0.1 OUTLIER -66.43 -33.35 75.52 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.827 -179.788 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . 0.449 ' N ' ' CD1' ' A' ' 120' ' ' TYR . 10.0 ttt180 -80.38 -32.55 37.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.959 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -84.5 -41.8 7.67 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.5 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.484 ' HB1' ' CE2' ' A' ' 85' ' ' PHE . . . -89.96 51.82 2.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.906 0.384 . . . . 0.0 111.16 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 8.3 mtm180 -89.52 -178.4 5.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 18.7 ttmt -59.7 -31.08 69.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.893 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 116.18 160.38 12.22 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.403 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.0 ttt85 -132.3 141.86 49.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.785 0.326 . . . . 0.0 110.95 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.089 0 CA-C-O 118.338 -1.257 . . . . 0.02 112.58 179.962 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.486 1.362 0 CA-C-O 120.836 0.351 . . . . 0.0 111.163 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 31.2 t80 -176.22 -40.5 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.925 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . 0.414 ' HG2' ' CE2' ' A' ' 46' ' ' TYR . 1.7 mpp? -69.69 -68.24 0.43 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.892 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.729 ' O ' HD12 ' A' ' 5' ' ' LEU . 1.1 pp -49.93 104.38 0.42 Allowed Pre-proline 0 C--N 1.331 -0.216 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.212 -179.786 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.55 ' O ' HD22 ' A' ' 60' ' ' LEU . 33.9 Cg_exo -60.16 130.02 32.56 Favored 'Trans proline' 0 C--N 1.347 0.472 0 C-N-CA 122.447 2.098 . . . . 0.0 112.224 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . 0.558 ' CD2' HD23 ' A' ' 60' ' ' LEU . 0.3 OUTLIER -110.38 -176.88 3.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.104 -179.957 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.775 HD23 ' HB3' ' A' ' 13' ' ' GLN . 4.5 mt -131.74 -177.23 4.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 115.999 -0.546 . . . . 0.0 110.649 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.72 ' O ' HG22 ' A' ' 66' ' ' VAL . 2.8 m-70 -136.25 -79.19 0.41 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.402 -0.363 . . . . 0.0 111.117 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.836 ' O ' HG23 ' A' ' 14' ' ' VAL . 29.1 p-10 -137.69 -165.48 1.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.882 -179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -47.69 -31.75 7.63 Favored Glycine 0 C--N 1.331 0.283 0 C-N-CA 120.99 -0.624 . . . . 0.0 112.722 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 1.7 m-90 -62.09 -56.67 16.57 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.861 0.362 . . . . 0.0 110.701 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.775 ' HB3' HD23 ' A' ' 8' ' ' LEU . 1.9 mt-30 -70.79 -37.35 73.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.663 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.836 HG23 ' O ' ' A' ' 10' ' ' ASN . 31.7 t -62.48 -50.44 79.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.577 ' HA ' HD12 ' A' ' 18' ' ' ILE . 9.1 m-20 -57.88 -32.44 67.7 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.642 179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 9.4 tt0 -78.07 -29.65 49.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.723 179.7 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.727 ' HB2' HD21 ' A' ' 8' ' ' LEU . . . -60.63 -41.6 95.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.577 HD12 ' HA ' ' A' ' 15' ' ' ASP . 4.7 mt -59.67 -49.02 85.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.887 179.748 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.7 mp -75.25 -14.11 60.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.184 179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 20.9 m -83.92 56.99 3.92 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-O 120.91 0.386 . . . . 0.0 110.976 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.4 mt-10 -74.59 -6.25 47.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.257 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 64.74 -82.33 0.03 OUTLIER 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.63 -0.259 . . . . 0.0 110.982 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -146.61 7.02 0.96 Allowed 'General case' 0 C--N 1.33 -0.255 0 N-CA-C 111.951 0.352 . . . . 0.0 111.951 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.593 ' HG2' HG22 ' A' ' 25' ' ' VAL . 0.0 OUTLIER -158.27 -79.51 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.747 0.308 . . . . 0.0 111.446 -179.931 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.65 HG21 HG12 ' A' ' 119' ' ' VAL . 0.1 OUTLIER -133.04 -172.16 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 CA-C-O 120.969 0.414 . . . . 0.0 111.342 -179.409 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 57' ' ' VAL . 4.9 p -154.93 120.3 0.52 Allowed 'Isoleucine or valine' 0 N--CA 1.443 -0.816 0 CA-C-N 115.901 -0.59 . . . . 0.0 111.09 179.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.597 ' HB ' HG23 ' A' ' 58' ' ' ILE . 64.3 t -89.71 147.9 4.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.372 -179.575 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.578 HD13 ' CD2' ' A' ' 84' ' ' PHE . 4.0 mp -145.49 106.0 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.801 179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.808 ' CZ ' HD12 ' A' ' 60' ' ' LEU . 0.5 OUTLIER -92.95 147.49 22.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.006 -179.845 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.575 ' HB3' HD11 ' A' ' 63' ' ' ILE . 10.5 m-85 -99.75 120.95 40.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.893 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 140.38 155.95 6.71 Favored Glycine 0 N--CA 1.45 -0.429 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.516 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 17.0 t-80 -82.63 154.89 24.7 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.827 0.346 . . . . 0.0 110.933 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -62.17 82.73 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 57.5 t-105 -178.12 -38.49 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.807 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -56.49 155.54 13.65 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.066 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 52.8 Cg_exo -54.86 -61.2 0.42 Allowed 'Trans proline' 0 C--N 1.343 0.288 0 C-N-CA 122.595 2.197 . . . . 0.0 112.385 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.896 HG23 ' HB2' ' A' ' 105' ' ' ALA . 9.5 m -55.06 -29.66 57.96 Favored 'General case' 0 N--CA 1.453 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.031 -179.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.3 m -76.65 -30.58 56.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.908 -0.587 . . . . 0.0 111.098 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 3.7 ttp -87.38 -45.02 10.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.083 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.801 ' O ' HG23 ' A' ' 44' ' ' VAL . 12.6 mtpp -63.37 -46.31 87.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.288 -0.414 . . . . 0.0 110.949 -179.822 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.472 ' HE1' ' HG2' ' A' ' 29' ' ' ARG . 37.2 ttp -69.92 -42.14 73.73 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.047 -179.791 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.563 ' OD1' HD22 ' A' ' 5' ' ' LEU . 17.3 t70 -71.27 -45.84 62.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.301 -0.408 . . . . 0.0 111.407 -179.709 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -55.58 -32.37 62.98 Favored 'General case' 0 C--N 1.331 -0.196 0 CA-C-O 120.943 0.401 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.801 HG23 ' O ' ' A' ' 40' ' ' LYS . 13.2 t -90.13 -41.08 13.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.402 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.793 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.69 ' O ' ' HB3' ' A' ' 49' ' ' ALA . 9.5 mt -44.96 -29.58 0.85 Allowed 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.34 179.871 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . 0.414 ' CE2' ' HG2' ' A' ' 4' ' ' MET . 5.8 t80 -69.84 -58.95 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.341 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 10.2 m -90.39 24.56 2.54 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.828 -0.624 . . . . 0.0 112.183 -179.26 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.836 HD13 ' O ' ' A' ' 48' ' ' ILE . 0.1 OUTLIER -145.33 -36.45 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 111.846 0.313 . . . . 0.0 111.846 179.868 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.69 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -89.22 -31.36 17.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.85 0.357 . . . . 0.0 111.228 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -48.06 -28.43 2.84 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.481 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.61 ' HG3' HG13 ' A' ' 52' ' ' VAL . 10.5 pttm -61.13 -47.06 87.99 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.204 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.61 HG13 ' HG3' ' A' ' 51' ' ' LYS . 19.2 m -105.63 21.45 3.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.307 -0.406 . . . . 0.0 111.414 -179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.43 -30.04 18.05 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.83 0.348 . . . . 0.0 111.311 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 12.5 t-20 -74.09 -28.59 61.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.147 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 27.9 m-85 -95.22 -66.2 0.93 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 121.226 0.536 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -102.4 134.79 45.14 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.953 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.629 HG23 HG23 ' A' ' 26' ' ' VAL . 5.1 m -116.45 176.91 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.795 179.87 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.688 HG21 ' CD1' ' A' ' 45' ' ' LEU . 1.6 mp -148.65 161.98 5.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.915 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.474 ' N ' HG22 ' A' ' 58' ' ' ILE . 62.0 m-85 -158.14 148.52 20.37 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.998 179.367 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.808 HD12 ' CZ ' ' A' ' 29' ' ' ARG . 0.2 OUTLIER -105.48 116.78 32.52 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.693 HG22 HD13 ' A' ' 8' ' ' LEU . 16.3 t -90.49 146.63 5.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.098 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.748 ' O ' HG23 ' A' ' 66' ' ' VAL . 4.6 t0 -111.35 100.5 9.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.87 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.575 HD11 ' HB3' ' A' ' 30' ' ' PHE . 34.6 mt -66.4 -23.71 32.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.263 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 7.1 m -86.74 -36.86 18.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.97 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -75.48 -36.08 60.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.97 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.748 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.7 t -78.33 139.88 60.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.929 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -55.32 86.21 0.03 OUTLIER 'Trans proline' 0 C--N 1.347 0.473 0 C-N-CA 122.468 2.112 . . . . 0.0 112.341 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -90.12 112.63 24.18 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -60.27 -78.53 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.84 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -178.72 -60.98 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.933 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 2.2 ttmp? 48.83 71.04 0.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.413 -0.358 . . . . 0.0 111.118 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 1.8 mpt? 62.99 -79.65 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . . . . . . . . . 54.3 p90 -147.69 21.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.136 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -51.32 -28.27 11.74 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.348 -0.387 . . . . 0.0 111.402 -179.893 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 2.1 tt -89.96 49.62 1.74 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.103 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.404 ' O ' ' CG ' ' A' ' 76' ' ' TYR . 66.3 t80 -156.58 25.18 0.34 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.302 -0.408 . . . . 0.0 111.125 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -90.13 136.93 28.23 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.847 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -70.86 -49.73 0.39 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.378 2.052 . . . . 0.0 112.283 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER 177.38 157.04 0.34 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 6.0 p -157.04 166.86 32.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.675 179.752 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.518 HG21 ' CD1' ' A' ' 94' ' ' LEU . 99.3 t -133.77 131.33 56.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.079 179.756 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.468 ' HA ' HG22 ' A' ' 92' ' ' ILE . 19.2 mtt -151.15 179.83 7.95 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.783 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.527 ' CE1' HG23 ' A' ' 90' ' ' ILE . 1.4 p90 -153.0 178.61 9.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.429 -0.35 . . . . 0.0 111.049 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.578 ' CD2' HD13 ' A' ' 28' ' ' ILE . 17.1 m-85 -144.7 144.58 31.29 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.914 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.46 ' HB2' HG12 ' A' ' 25' ' ' VAL . 18.4 t80 -148.43 146.91 28.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.927 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 50.53 32.28 6.5 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.072 -0.513 . . . . 0.0 111.225 179.79 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 61.79 31.21 18.47 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.992 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 6.2 mmmt -119.57 161.59 20.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.43 ' HA ' ' CD1' ' A' ' 84' ' ' PHE . 5.1 t60 -90.46 137.08 32.64 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.932 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.527 HG23 ' CE1' ' A' ' 83' ' ' PHE . 6.7 tp -163.85 143.44 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.039 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.94 153.5 22.46 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.474 HG13 HD11 ' A' ' 115' ' ' ILE . 8.5 tp -143.53 152.61 16.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.08 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -113.94 130.81 56.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.92 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.756 ' HA ' HD12 ' A' ' 115' ' ' ILE . 21.7 mt -59.87 -39.79 86.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.754 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -134.77 63.04 0.61 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.516 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . 0.677 ' O ' HD11 ' A' ' 102' ' ' ILE . 5.6 m 61.64 153.76 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.359 . . . . 0.0 110.892 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 161.95 -157.65 29.47 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.506 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -94.59 -76.3 0.49 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.803 0.335 . . . . 0.0 110.964 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 9.4 p30 -132.29 -53.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.3 m-80 -141.64 17.4 2.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.202 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -52.35 -25.44 9.71 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-N 116.454 -0.339 . . . . 0.0 111.387 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.677 HD11 ' O ' ' A' ' 96' ' ' THR . 35.9 mm -67.21 74.22 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.966 0.412 . . . . 0.0 111.265 -179.856 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . . . . . . . . . 15.4 p30 -110.31 31.21 6.09 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.663 179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . 0.426 ' O ' ' HB3' ' A' ' 105' ' ' ALA . 2.3 t-105 -149.82 -45.79 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.865 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.896 ' HB2' HG23 ' A' ' 37' ' ' THR . . . 68.55 131.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.278 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 14.0 ttt -143.87 154.63 43.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.031 -0.531 . . . . 0.0 110.533 179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 72.04 105.81 0.07 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.992 0.425 . . . . 0.0 110.488 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.46 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 1.7 p30 -91.64 137.03 32.69 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.786 -0.643 . . . . 0.0 111.364 -179.664 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.666 ' O ' HG23 ' A' ' 113' ' ' VAL . 0.8 OUTLIER 87.19 -38.11 0.03 OUTLIER 'General case' 0 N--CA 1.468 0.436 0 CA-C-N 115.89 -0.595 . . . . 0.0 111.583 179.714 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -90.06 -44.64 9.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.78 0.324 . . . . 0.0 111.023 -179.769 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -57.91 -47.52 82.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.164 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.632 ' HE2' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -59.41 -57.28 13.67 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.038 -179.866 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.684 HG22 HD11 ' A' ' 48' ' ' ILE . 57.6 t -47.94 -36.1 5.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 111.147 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 68.1 m-20 -63.51 -46.48 85.85 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.706 -179.52 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.756 HD12 ' HA ' ' A' ' 94' ' ' LEU . 5.3 tt -65.76 -46.48 88.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.824 0.345 . . . . 0.0 111.46 -179.368 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.591 ' CD1' HD12 ' A' ' 48' ' ' ILE . 4.1 mt -59.52 -35.01 56.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.201 -179.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.0 -40.36 94.82 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.932 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.8 p -79.65 -44.3 21.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.932 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.749 HG23 ' O ' ' A' ' 115' ' ' ILE . 35.9 t -65.75 -48.33 82.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.193 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.439 ' CE2' ' HD2' ' A' ' 24' ' ' ARG . 47.0 t80 -62.59 -69.89 0.23 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.944 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.3 mtp180 -56.67 -31.06 64.03 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.739 -0.664 . . . . 0.0 111.005 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -76.0 -47.48 11.35 Favored Glycine 0 N--CA 1.45 -0.388 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.504 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.26 17.25 7.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.616 0.246 . . . . 0.0 111.599 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -80.04 83.37 5.95 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-O 120.786 0.327 . . . . 0.0 110.777 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 5.6 tptm 60.73 111.18 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 103.9 -134.94 12.14 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 3.1 tpm_? 60.67 106.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.861 0.362 . . . . 0.0 110.91 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 1.027 0 CA-C-O 118.382 -1.232 . . . . 0.02 112.445 -179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 p . . . . . 0 N--CA 1.486 1.326 0 CA-C-O 120.823 0.344 . . . . 0.0 111.201 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 11.2 m-85 -157.18 -62.35 0.09 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.949 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 5.1 mtp 60.19 167.11 0.08 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.567 HD23 ' CG ' ' A' ' 42' ' ' ASP . 5.9 mp -49.82 106.31 0.62 Allowed Pre-proline 0 C--N 1.331 -0.212 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.177 -179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.431 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 61.1 Cg_endo -73.19 116.56 4.75 Favored 'Trans proline' 0 C--N 1.346 0.417 0 C-N-CA 122.439 2.092 . . . . 0.0 112.4 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 15.7 p-80 -110.23 173.0 6.53 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.907 179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.712 HD22 HG22 ' A' ' 14' ' ' VAL . 0.8 OUTLIER -114.35 -175.42 2.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 179.937 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.788 ' O ' HG22 ' A' ' 66' ' ' VAL . 10.4 m80 -131.95 -71.82 0.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.982 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.819 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.2 t-20 -148.39 -169.17 3.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.867 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.28 -25.63 57.76 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.613 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 58.9 m95 -58.2 -42.22 85.66 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.852 0.358 . . . . 0.0 110.902 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . . . . . . . . . 63.3 mt-30 -90.12 -31.14 17.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.819 HG23 ' O ' ' A' ' 10' ' ' ASN . 27.2 t -68.71 -35.29 69.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.147 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.415 ' HA ' HG22 ' A' ' 18' ' ' ILE . 69.0 m-20 -90.14 -30.11 17.85 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.961 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -79.79 -30.87 40.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.95 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.43 -39.85 18.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.14 -179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.492 HG23 ' N ' ' A' ' 19' ' ' LEU . 14.9 tt -59.85 -44.75 94.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.156 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.492 ' N ' HG23 ' A' ' 18' ' ' ILE . 14.8 mt -80.81 -29.43 35.99 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.984 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.1 m -58.81 -30.47 67.65 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.008 -179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 6.2 mm-40 -64.74 -80.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.956 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 52.08 26.03 3.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.859 0.361 . . . . 0.0 110.972 -179.75 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.3 m-20 -117.03 -40.54 3.11 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . 0.453 ' NH1' ' CD2' ' A' ' 120' ' ' TYR . 4.0 ttp180 -148.38 -74.7 0.18 Allowed 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.341 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.827 HG22 ' H ' ' A' ' 26' ' ' VAL . 2.4 p -169.31 -168.59 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-O 121.227 0.537 . . . . 0.0 111.7 -179.744 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.878 HG13 HG23 ' A' ' 57' ' ' VAL . 3.3 t -153.36 143.87 14.65 Favored 'Isoleucine or valine' 0 N--CA 1.445 -0.722 0 CA-C-N 115.667 -0.697 . . . . 0.0 111.323 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.524 HG22 ' CE2' ' A' ' 83' ' ' PHE . 90.1 t -113.65 139.07 41.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.737 179.662 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.459 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.3 mp -138.77 129.46 34.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.308 -0.406 . . . . 0.0 111.204 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.843 ' HB2' HG23 ' A' ' 81' ' ' VAL . 7.1 ttt180 -129.46 132.48 46.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.932 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 37.7 m-85 -94.64 128.17 41.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.95 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . . . . . . . . . . . 144.44 138.55 3.35 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.553 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -64.33 155.45 32.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.854 0.359 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . 0.514 ' OD1' HD22 ' A' ' 5' ' ' LEU . 0.6 OUTLIER -59.67 -27.2 66.19 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.018 -179.972 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 4.0 t-105 -56.74 -30.46 63.58 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.991 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -63.76 146.57 96.82 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 55.8 Cg_endo -70.42 -46.76 0.87 Allowed 'Trans proline' 0 C--N 1.344 0.32 0 C-N-CA 122.469 2.112 . . . . 0.0 112.306 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.43 HG22 ' CZ ' ' A' ' 29' ' ' ARG . 9.1 m -55.4 -30.47 60.46 Favored 'General case' 0 N--CA 1.452 -0.365 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.972 -179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 31.2 t -74.26 -48.41 28.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.935 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 9.1 mtt -60.21 -34.6 73.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.603 ' O ' HG12 ' A' ' 44' ' ' VAL . 1.0 OUTLIER -67.79 -38.19 83.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 179.926 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.587 ' CE ' HD21 ' A' ' 60' ' ' LEU . 17.6 ttp -74.74 -35.29 62.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . 0.567 ' CG ' HD23 ' A' ' 5' ' ' LEU . 3.2 m-20 -79.96 -48.97 12.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.073 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . . . . . . . . . 4.7 mm-40 -55.61 -32.47 63.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.724 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.887 HG22 HG12 ' A' ' 48' ' ' ILE . 14.6 p -86.25 -37.11 11.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.918 179.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.608 ' O ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -46.91 -48.39 21.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.303 -179.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -33.58 63.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.433 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 58.5 m -90.09 -23.92 21.27 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.369 -0.378 . . . . 0.0 111.554 -179.604 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.887 HG12 HG22 ' A' ' 44' ' ' VAL . 1.7 pp -119.48 35.89 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.817 0.341 . . . . 0.0 111.23 -179.596 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.608 ' HB2' ' O ' ' A' ' 45' ' ' LEU . . . -103.18 -45.19 4.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.259 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.55 -29.32 1.74 Allowed 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.525 -179.739 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.505 ' HG3' HG13 ' A' ' 52' ' ' VAL . 2.0 ptpm? -72.2 -38.89 68.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.275 -0.42 . . . . 0.0 111.103 -179.845 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.505 HG13 ' HG3' ' A' ' 51' ' ' LYS . 27.6 m -89.41 -25.3 5.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.444 -179.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . 0.403 ' O ' ' CD2' ' A' ' 55' ' ' PHE . 12.8 ttpt -46.75 146.99 1.39 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.3 -0.409 . . . . 0.0 111.446 -179.752 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . 0.417 ' O ' ' CD1' ' A' ' 55' ' ' PHE . 3.6 t-20 67.92 22.19 8.71 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.322 179.891 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.419 ' O ' ' CB ' ' A' ' 24' ' ' ARG . 61.6 m-85 -155.71 -51.9 0.08 Allowed 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 121.261 0.553 . . . . 0.0 110.824 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.41 ' CB ' ' NH1' ' A' ' 24' ' ' ARG . . . -125.99 162.37 25.42 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 115.642 -0.708 . . . . 0.0 111.033 179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.878 HG23 HG13 ' A' ' 26' ' ' VAL . 2.1 m -143.31 139.59 26.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.908 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.537 HD11 ' SD ' ' A' ' 41' ' ' MET . 15.8 tt -113.36 164.59 9.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.088 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 28.3 m-85 -165.84 137.61 3.9 Favored 'General case' 0 N--CA 1.447 -0.592 0 CA-C-O 120.91 0.386 . . . . 0.0 111.005 179.657 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.587 HD21 ' CE ' ' A' ' 41' ' ' MET . 3.3 mm? -93.94 109.71 21.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.909 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.707 HG13 HG21 ' A' ' 66' ' ' VAL . 21.5 t -80.4 123.75 37.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.108 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.48 123.91 28.48 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.96 -179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.618 HG22 HD12 ' A' ' 75' ' ' LEU . 2.2 pt -81.37 56.21 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.452 -0.357 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.215 179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 4.2 m -164.6 -44.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.644 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -90.07 -30.66 17.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.95 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.788 HG22 ' O ' ' A' ' 9' ' ' HIS . 6.7 t -82.78 -46.54 0.88 Allowed Pre-proline 0 C--N 1.33 -0.259 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.506 -179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.477 ' CD ' ' N ' ' A' ' 66' ' ' VAL . 75.1 Cg_exo -49.35 121.58 7.26 Favored 'Trans proline' 0 C--N 1.348 0.506 0 C-N-CA 122.403 2.069 . . . . 0.0 112.389 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -89.74 -31.79 17.29 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 1.7 t80 -169.43 95.55 0.31 Allowed 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.893 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . 0.599 ' HB3' HD23 ' A' ' 75' ' ' LEU . 27.4 p-10 -98.53 32.07 2.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 18.9 mttt 63.89 -78.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.959 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . . . . . . . . . 6.9 mtt -126.95 -59.61 1.25 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.936 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.442 ' HB2' ' CD1' ' A' ' 76' ' ' TYR . 13.4 p90 -161.7 30.54 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.965 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.7 tm-20 -48.61 -34.42 11.62 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.251 -179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . 0.618 HD12 HG22 ' A' ' 63' ' ' ILE . 3.7 mm? -90.08 68.15 7.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . 0.442 ' CD1' ' HB2' ' A' ' 73' ' ' TYR . 4.1 m-85 -136.42 30.52 2.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -86.91 164.56 36.13 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.794 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 17.7 Cg_endo -60.36 -58.99 0.41 Allowed 'Trans proline' 0 C--N 1.344 0.332 0 C-N-CA 122.498 2.132 . . . . 0.0 112.21 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -177.21 164.11 2.16 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.886 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 11.4 t -178.57 131.49 0.13 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.831 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD23 ' A' ' 94' ' ' LEU . 3.7 p -109.62 159.66 9.05 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.505 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . . . . . . . . . 1.8 mtp -156.25 146.69 21.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.853 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.524 ' CE2' HG22 ' A' ' 27' ' ' VAL . 19.6 m-85 -97.02 149.61 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.906 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.501 ' CE2' ' CD2' ' A' ' 89' ' ' HIS . 0.7 OUTLIER -140.41 134.74 31.23 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.936 179.928 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.794 ' HB2' HG23 ' A' ' 25' ' ' VAL . 33.4 t80 -146.07 147.53 31.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.81 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 37.6 ttt-85 52.29 30.95 8.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.985 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 15.5 t30 63.1 37.42 11.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.819 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.402 ' O ' ' CD1' ' A' ' 84' ' ' PHE . 8.7 tttm -142.87 152.43 42.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.93 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.752 ' O ' HD13 ' A' ' 90' ' ' ILE . 4.2 m80 -60.09 145.21 47.5 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.916 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.752 HD13 ' O ' ' A' ' 89' ' ' HIS . 22.7 mm -140.65 120.94 13.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.136 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.0 -166.23 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.985 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.768 HG21 ' CG2' ' A' ' 119' ' ' VAL . 30.4 mt 66.4 149.22 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.33 -0.395 . . . . 0.0 111.181 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.439 ' CG ' HG13 ' A' ' 81' ' ' VAL . 61.0 m-20 -139.41 -178.01 5.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.851 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.852 HD23 HG21 ' A' ' 81' ' ' VAL . 1.7 pp -87.87 -35.24 17.86 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.866 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.546 ' HA3' HG21 ' A' ' 102' ' ' ILE . . . -90.94 170.38 34.63 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.456 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 1.3 m -161.68 120.1 2.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.781 0.324 . . . . 0.0 110.932 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . -141.08 48.86 0.8 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.533 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 60.45 31.64 20.37 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.817 0.341 . . . . 0.0 110.909 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -162.0 149.01 13.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.933 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.4 m-20 -61.82 -74.53 0.08 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 7.5 mtpp -49.95 95.64 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.246 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.546 HG21 ' HA3' ' A' ' 95' ' ' GLY . 32.8 mm -77.61 76.73 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.1 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.422 ' O ' HG21 ' A' ' 37' ' ' THR . 44.4 m-20 -91.28 -35.3 14.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.791 179.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 7.9 m95 -109.38 118.22 36.08 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.573 179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -118.25 133.36 55.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.422 -179.679 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 22.6 ttm -161.69 43.48 0.15 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.214 0.531 . . . . 0.0 110.709 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -149.16 11.27 0.81 Allowed 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.601 -0.727 . . . . 0.0 111.399 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.499 ' HB2' HG21 ' A' ' 44' ' ' VAL . 32.9 p-10 -48.54 156.14 0.47 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.378 -0.374 . . . . 0.0 111.656 -179.616 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.465 ' CB ' ' O ' ' A' ' 108' ' ' ASP . 5.3 ttpp 88.07 -44.66 0.03 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.686 -0.688 . . . . 0.0 110.555 -179.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 2.7 mm-40 -90.57 -78.29 0.38 Allowed 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.927 -0.578 . . . . 0.0 110.843 179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -60.11 -37.64 80.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.812 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.77 ' O ' HD12 ' A' ' 116' ' ' ILE . 0.0 OUTLIER -59.45 -62.18 2.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.708 179.877 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 109' ' ' LYS . 52.0 t -46.22 -38.24 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.965 0.412 . . . . 0.0 111.136 179.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 26.8 t0 -74.57 -46.81 36.39 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.896 -0.593 . . . . 0.0 111.56 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.471 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 6.0 tp -65.32 -46.73 89.59 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-O 120.75 0.31 . . . . 0.0 111.319 -179.407 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.77 HD12 ' O ' ' A' ' 112' ' ' MET . 3.8 mt -59.54 -34.19 54.03 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.353 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.675 -179.594 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -61.67 -47.15 86.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.638 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -54.82 41.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.533 179.742 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . 0.768 ' CG2' HG21 ' A' ' 92' ' ' ILE . 99.9 t -60.74 -32.45 51.93 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.625 179.609 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . 0.453 ' CD2' ' NH1' ' A' ' 24' ' ' ARG . 6.9 t80 -58.67 -64.51 0.91 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.632 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 9.7 mtp-105 -63.7 -38.01 89.49 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.581 -0.736 . . . . 0.0 111.011 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -67.29 -41.56 91.38 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.431 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . . . . . . . . . . . -90.1 47.71 1.48 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.861 0.363 . . . . 0.0 111.252 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 9.8 ptm180 -98.08 -46.35 5.9 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.949 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.67 -170.49 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 135.95 44.62 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.48 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 9.6 mtt-85 -78.81 -73.47 0.33 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.762 0.315 . . . . 0.0 110.858 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.103 0 CA-C-O 118.338 -1.256 . . . . 0.02 112.525 -179.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.1 p . . . . . 0 N--CA 1.487 1.419 0 CA-C-O 120.779 0.323 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' TYR . . . . . . . . . . . . . 12.9 t80 -104.52 -37.94 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -50.73 -79.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.173 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' LEU . . . . . 0.941 HD11 HG23 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -49.88 105.02 0.46 Allowed Pre-proline 0 C--N 1.33 -0.241 0 CA-C-N 116.516 -0.311 . . . . 0.0 111.254 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.444 ' HB2' ' CE1' ' A' ' 59' ' ' TYR . 35.4 Cg_exo -59.92 136.44 69.82 Favored 'Trans proline' 0 C--N 1.345 0.385 0 C-N-CA 122.487 2.125 . . . . 0.0 112.297 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 39.4 p-80 -110.06 -176.86 3.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.995 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.061 HD23 HG22 ' A' ' 14' ' ' VAL . 4.3 mp -100.74 -172.42 2.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.824 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -145.52 -46.78 0.22 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.008 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.835 ' O ' HG23 ' A' ' 14' ' ' VAL . 3.1 m120 -156.95 -176.1 5.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.371 -0.377 . . . . 0.0 111.031 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.7 -27.21 61.19 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.582 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' TRP . . . . . . . . . . . . . 11.1 t-105 -57.65 -48.28 79.91 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.836 0.351 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLN . . . . . 0.513 ' O ' ' HB2' ' A' ' 17' ' ' ALA . 6.2 mm100 -77.28 -26.61 52.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.908 179.906 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.061 HG22 HD23 ' A' ' 8' ' ' LEU . 23.8 t -70.56 -59.89 3.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.168 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASP . . . . . 0.677 ' HA ' HD12 ' A' ' 18' ' ' ILE . 30.4 t0 -58.82 -31.43 68.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLN . . . . . . . . . . . . . 3.6 tp60 -82.57 -29.39 30.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.941 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.513 ' HB2' ' O ' ' A' ' 13' ' ' GLN . . . -65.99 -37.77 86.8 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.16 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.677 HD12 ' HA ' ' A' ' 15' ' ' ASP . 6.0 mt -59.3 -46.1 92.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.165 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 7.7 tp -86.37 -26.78 24.63 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 -179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 26.5 t -58.31 -32.22 68.27 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.153 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -66.94 76.22 0.12 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.979 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -98.47 29.71 3.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.801 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -109.9 -42.48 4.22 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 179.68 -79.86 0.0 OUTLIER 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.999 -0.546 . . . . 0.0 111.114 179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' VAL . . . . . 0.494 HG12 ' H ' ' A' ' 26' ' ' VAL . 0.2 OUTLIER -121.93 -171.73 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.987 -179.789 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.724 HG23 ' O ' ' A' ' 57' ' ' VAL . 11.2 p -163.48 139.66 1.56 Allowed 'Isoleucine or valine' 0 N--CA 1.445 -0.721 0 CA-C-N 116.346 -0.388 . . . . 0.0 111.311 179.787 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.695 ' O ' HD13 ' A' ' 28' ' ' ILE . 92.0 t -113.86 141.92 28.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.855 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.695 HD13 ' O ' ' A' ' 27' ' ' VAL . 25.9 mm -137.48 120.36 20.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.254 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.563 ' NH1' HD21 ' A' ' 94' ' ' LEU . 0.0 OUTLIER -115.54 97.61 6.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.941 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.48 ' CZ ' ' CG2' ' A' ' 80' ' ' THR . 46.0 p90 -98.54 159.87 14.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.022 0.439 . . . . 0.0 111.612 -179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLY . . . . . 0.468 ' HA3' ' HA ' ' A' ' 79' ' ' CYS . . . 130.51 -43.61 1.28 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.413 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' HIS . . . . . 0.404 ' CG ' ' O ' ' A' ' 31' ' ' GLY . 8.4 m-70 -172.48 114.44 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.824 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -67.3 -30.35 70.19 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.953 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TRP . . . . . . . . . . . . . 2.5 t90 -105.45 29.06 6.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.036 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -83.05 147.24 53.62 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.957 179.877 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 30.3 Cg_endo -63.52 -32.66 70.11 Favored 'Trans proline' 0 C--N 1.345 0.343 0 C-N-CA 122.51 2.14 . . . . 0.0 112.225 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . 0.628 HG23 ' H ' ' A' ' 105' ' ' ALA . 55.0 m -61.81 -50.3 72.86 Favored 'General case' 0 N--CA 1.447 -0.587 0 CA-C-O 121.138 0.495 . . . . 0.0 110.39 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.618 ' SG ' HD12 ' A' ' 60' ' ' LEU . 4.9 m -59.6 -31.79 69.8 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.57 -0.741 . . . . 0.0 110.897 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 14.8 mtm -65.8 -34.74 78.85 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.124 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.445 ' O ' ' HG2' ' A' ' 43' ' ' GLU . 1.7 mptp? -69.98 -46.6 64.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.145 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.856 ' SD ' HD22 ' A' ' 94' ' ' LEU . 3.0 ttt -70.8 -34.52 71.84 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-O 120.881 0.372 . . . . 0.0 110.496 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 11.3 m-20 -73.28 -47.51 42.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.019 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLU . . . . . 0.445 ' HG2' ' O ' ' A' ' 40' ' ' LYS . 10.5 pt-20 -54.59 -34.19 61.55 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.504 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' VAL . . . . . 0.882 HG22 HG12 ' A' ' 48' ' ' ILE . 14.2 p -87.76 -38.46 11.92 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.391 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.904 179.687 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.958 HD11 HD13 ' A' ' 58' ' ' ILE . 7.3 mt -46.15 -29.42 1.54 Allowed 'General case' 0 C--N 1.331 -0.196 0 CA-C-N 116.035 -0.53 . . . . 0.0 111.197 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' TYR . . . . . . . . . . . . . 8.4 t80 -72.29 -39.66 68.14 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.907 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.5 m -90.53 8.68 32.74 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.025 -0.534 . . . . 0.0 112.269 -179.47 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.882 HG12 HG22 ' A' ' 44' ' ' VAL . 0.9 OUTLIER -140.54 -40.07 0.24 Allowed 'Isoleucine or valine' 0 N--CA 1.463 0.205 0 N-CA-C 112.214 0.449 . . . . 0.0 112.214 -179.707 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.64 ' HB3' ' O ' ' A' ' 45' ' ' LEU . . . -82.27 -27.59 32.31 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.725 0.297 . . . . 0.0 111.483 -179.555 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' GLU . . . . . . . . . . . . . 13.5 mt-10 -47.68 -27.58 2.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.43 -0.35 . . . . 0.0 111.619 -179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -85.08 -33.66 22.4 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.459 -0.337 . . . . 0.0 111.449 -179.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' VAL . . . . . 0.616 HG22 ' HA ' ' A' ' 49' ' ' ALA . 25.7 m -96.63 -1.49 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 N-CA-C 111.917 0.34 . . . . 0.0 111.917 -179.705 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' LYS . . . . . . . . . . . . . 3.6 tttt -49.66 -27.36 4.59 Favored 'General case' 0 C--N 1.332 -0.179 0 CA-C-O 120.829 0.347 . . . . 0.0 111.464 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -74.54 -24.62 58.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.332 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . . . . . . . . . 49.0 m-85 -104.38 -58.86 1.82 Allowed 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.041 0.448 . . . . 0.0 111.163 -179.823 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -99.71 154.64 18.14 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-N 115.754 -0.657 . . . . 0.0 111.003 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.724 ' O ' HG23 ' A' ' 26' ' ' VAL . 3.6 m -144.25 122.32 6.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 120.897 0.379 . . . . 0.0 111.049 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.958 HD13 HD11 ' A' ' 45' ' ' LEU . 18.5 tt -96.61 160.3 2.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.076 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.464 ' CG ' ' O ' ' A' ' 58' ' ' ILE . 86.2 m-85 -161.9 125.4 3.13 Favored 'General case' 0 N--CA 1.447 -0.622 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.004 179.666 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.852 ' CD2' HD12 ' A' ' 5' ' ' LEU . 3.1 mm? -75.35 163.39 27.5 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.597 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.995 HG22 HD22 ' A' ' 8' ' ' LEU . 21.1 t -146.47 138.1 19.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.317 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.623 ' O ' HG23 ' A' ' 66' ' ' VAL . 0.8 OUTLIER -98.75 104.57 16.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.8 179.877 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.415 HD11 ' HB3' ' A' ' 74' ' ' GLU . 1.4 tt -67.98 -27.01 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.139 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' THR . . . . . . . . . . . . . 12.4 m -86.38 -32.65 20.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.961 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -83.3 -32.05 26.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.981 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' VAL . . . . . 0.623 HG23 ' O ' ' A' ' 62' ' ' ASP . 38.5 t -90.05 136.37 29.02 Favored Pre-proline 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.039 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.43 ' HD2' HG13 ' A' ' 66' ' ' VAL . 60.7 Cg_endo -72.62 61.85 3.65 Favored 'Trans proline' 0 C--N 1.346 0.424 0 C-N-CA 122.488 2.126 . . . . 0.0 112.311 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -84.88 -173.77 4.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.853 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -55.9 -45.89 78.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.948 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 64.49 -78.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.024 179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.33 -175.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.731 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' MET . . . . . 0.408 ' O ' ' CG ' ' A' ' 73' ' ' TYR . 3.0 ttt -90.41 51.24 1.97 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.865 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' TYR . . . . . 0.408 ' CG ' ' O ' ' A' ' 72' ' ' MET . 59.2 m-85 -157.03 -60.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.944 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.415 ' HB3' HD11 ' A' ' 63' ' ' ILE . 23.7 mt-10 -51.64 -33.72 34.66 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.293 -179.672 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 1.7 mp -64.46 154.65 35.17 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.958 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER 61.8 18.34 9.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.265 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASP . . . . . . . . . . . . . 15.6 t0 -90.23 130.94 40.17 Favored Pre-proline 0 C--N 1.331 -0.205 0 CA-C-N 116.55 -0.296 . . . . 0.0 110.769 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_exo -54.51 -64.0 0.18 Allowed 'Trans proline' 0 C--N 1.346 0.406 0 C-N-CA 122.362 2.041 . . . . 0.0 112.131 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' CYS . . . . . 0.468 ' HA ' ' HA3' ' A' ' 31' ' ' GLY . 0.1 OUTLIER 177.63 155.57 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.655 179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.48 ' CG2' ' CZ ' ' A' ' 30' ' ' PHE . 8.9 t -149.99 152.44 34.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.795 0.331 . . . . 0.0 110.977 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.552 HG12 ' HB ' ' A' ' 102' ' ' ILE . 6.3 p -105.23 162.89 4.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.767 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' MET . . . . . 0.417 ' N ' HG22 ' A' ' 81' ' ' VAL . 5.1 mtt -169.02 114.06 0.57 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.591 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' PHE . . . . . 0.993 ' CG ' HD11 ' A' ' 92' ' ' ILE . 4.6 m-85 -85.59 152.81 22.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.097 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PHE . . . . . 0.721 ' O ' HG12 ' A' ' 26' ' ' VAL . 4.9 m-85 -133.27 134.3 43.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.743 179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' PHE . . . . . 0.419 ' CE2' ' HA ' ' A' ' 123' ' ' ALA . 23.3 t80 -147.86 147.74 30.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.865 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ARG . . . . . . . . . . . . . 9.8 tpt85 50.94 29.85 4.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.179 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 60.82 30.71 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.406 ' O ' ' CD2' ' A' ' 84' ' ' PHE . 2.5 tptt -115.23 -169.05 1.49 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' HIS . . . . . 0.611 ' O ' HD13 ' A' ' 90' ' ' ILE . 12.8 m80 -110.01 122.68 48.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.611 HD13 ' O ' ' A' ' 89' ' ' HIS . 27.8 mm -131.57 125.82 56.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.102 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -80.0 0.2 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.985 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ILE . . . . . 0.993 HD11 ' CG ' ' A' ' 83' ' ' PHE . 34.6 pt 44.82 -169.44 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 115.989 -0.55 . . . . 0.0 111.548 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ASP . . . . . 0.509 ' CG ' HD11 ' A' ' 102' ' ' ILE . 92.7 m-20 -135.3 171.19 14.79 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.862 0.363 . . . . 0.0 110.963 -179.835 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.856 HD22 ' SD ' ' A' ' 41' ' ' MET . 3.7 pp -109.94 -27.66 9.13 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.935 179.844 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . 0.417 ' N ' HD12 ' A' ' 94' ' ' LEU . . . -127.63 -85.02 0.49 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.502 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -161.86 -68.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.824 0.345 . . . . 0.0 110.937 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 89.26 -102.6 2.9 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.783 -0.723 . . . . 0.0 112.469 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -176.41 -65.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.817 0.341 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -162.06 31.68 0.12 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -160.04 -177.73 6.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LYS . . . . . . . . . . . . . 2.3 tptm -49.87 146.91 4.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.285 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ILE . . . . . 0.652 HG21 ' HG ' ' A' ' 94' ' ' LEU . 34.2 mm -72.94 76.81 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ASN . . . . . 0.424 ' HA ' ' O ' ' A' ' 79' ' ' CYS . 45.5 p-10 -102.81 -25.75 13.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.691 179.644 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' TRP . . . . . . . . . . . . . 62.1 m95 -115.39 67.35 0.7 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.206 179.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . 0.628 ' H ' HG23 ' A' ' 37' ' ' THR . . . -44.66 155.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.87 -0.605 . . . . 0.0 111.993 -179.297 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -178.98 170.83 1.44 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 115.866 -0.606 . . . . 0.0 110.548 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 64.67 13.25 8.21 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.438 -0.346 . . . . 0.0 111.372 179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ASP . . . . . 0.435 ' O ' ' CB ' ' A' ' 109' ' ' LYS . 12.2 p30 -43.41 155.2 0.07 Allowed 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.595 -179.703 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LYS . . . . . 0.671 ' H ' HG21 ' A' ' 44' ' ' VAL . 1.6 mttm 86.46 -44.8 0.04 OUTLIER 'General case' 0 N--CA 1.465 0.31 0 CA-C-N 115.671 -0.695 . . . . 0.0 110.664 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -90.29 -77.28 0.41 Allowed 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.947 -0.569 . . . . 0.0 111.368 -179.79 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' GLU . . . . . . . . . . . . . 30.1 mm-40 -48.55 -35.09 12.62 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.051 -0.522 . . . . 0.0 111.52 -179.469 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' MET . . . . . 0.697 ' O ' HD12 ' A' ' 116' ' ' ILE . 4.8 mmt -60.84 -59.53 5.23 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.301 -0.408 . . . . 0.0 110.745 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' VAL . . . . . 0.618 HG23 ' O ' ' A' ' 109' ' ' LYS . 95.6 t -48.05 -36.92 6.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.05 179.77 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -70.92 -46.07 63.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.602 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ILE . . . . . 0.464 ' CG2' ' N ' ' A' ' 116' ' ' ILE . 0.4 OUTLIER -67.66 -46.65 82.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-O 120.605 0.24 . . . . 0.0 111.547 -179.419 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ILE . . . . . 0.697 HD12 ' O ' ' A' ' 112' ' ' MET . 3.7 mt -57.2 -32.47 40.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 111.029 -179.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -69.23 -43.91 73.08 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.879 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -62.12 -55.55 27.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.774 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' VAL . . . . . . . . . . . . . 58.8 t -59.92 -37.11 70.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.952 179.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' TYR . . . . . . . . . . . . . 12.2 t80 -63.0 -34.63 77.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.899 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -89.97 -33.25 16.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' GLY . . . . . . . . . . . . . . . -77.65 -41.43 19.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.505 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ALA . . . . . 0.419 ' HA ' ' CE2' ' A' ' 85' ' ' PHE . . . -84.76 56.88 4.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.89 0.376 . . . . 0.0 111.092 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' ARG . . . . . . . . . . . . . 6.6 mtm180 -99.75 -53.61 3.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -147.98 -52.94 0.19 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.93 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLY . . . . . . . . . . . . . . . 86.91 -159.13 31.19 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ARG . . . . . . . . . . . . . 5.8 ptp180 -160.5 106.49 1.5 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.763 0.316 . . . . 0.0 110.915 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.048 0 CA-C-O 118.39 -1.228 . . . . 0.02 112.546 -179.985 . . . . . . . . 0 0 . 1 stop_ save_